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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-07-04 19:01:52 UTC

Update Date

2021-09-14 14:59:39 UTC

HMDB ID

HMDB0060823

Secondary Accession Numbers

HMDB60823

Metabolite Identification

Common Name

Doxorubicinol aglycone

Description

Doxorubicinol aglycone is a metabolite of doxorubicin. Doxorubicin is a drug used in cancer chemotherapy. It is an anthracycline antibiotic, closely related to the natural product daunomycin, and like all anthracyclines, it works by intercalating DNA. Doxorubicin is commonly used in the treatment of a wide range of cancers, including hematological malignancies, many types of carcinoma, and soft tissue sarcomas. Doxorubicin's most serious adverse effect is life-threatening heart damage. (Wikipedia)

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 07041312012D          

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M  END

HMDB0060823
     RDKit          3D
Doxorubicinol aglycone
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M  END


  Mrv0541 07041312012D          

 39 43  0  0  0  0            999 V2000
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 20 28  1  0  0  0  0
 18 29  1  0  0  0  0
 13 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 10 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
  3 35  1  0  0  0  0
  7 35  2  0  0  0  0
 15 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0060823

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(O)CO)C(O)=C1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3

> <INCHI_KEY>
NKZRZOVSJNSBFR-UHFFFAOYSA-N

> <FORMULA>
C27H31NO11

> <MOLECULAR_WEIGHT>
545.5351

> <EXACT_MASS>
545.189710839

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
56.11564840141271

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

> <ALOGPS_LOGP>
0.35

> <JCHEM_LOGP>
0.22790513920973576

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
11.301658468797653

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.736073810205214

> <JCHEM_PKA_STRONGEST_BASIC>
9.139872442326617

> <JCHEM_POLAR_SURFACE_AREA>
209.22999999999996

> <JCHEM_REFRACTIVITY>
135.36040000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.49e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060823
     RDKit          3D
Doxorubicinol aglycone
 70 74  0  0  0  0  0  0  0  0999 V2000
    5.7237   -4.2125    2.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856   -3.1978    1.6095 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4976   -2.1187    0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787   -2.0211    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406   -0.9272    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5990    0.0426   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2184   -0.0452   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6607   -1.1397    0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014   -1.2411    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   -2.2495    1.1923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175   -0.2119    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095   -0.3058    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -1.4449    0.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    0.6827   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    1.8089   -0.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.8770   -1.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    2.9397   -1.6733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8814    0.8609   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357    0.9838   -0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8524    1.9757   -1.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528    2.8353   -1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900    3.2154   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2838    3.9146   -1.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6400    4.1986    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3508    3.5047    1.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    4.6989    1.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230    5.5492    2.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    2.0285    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123    0.7141   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907   -0.2996    0.4309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643   -0.9876   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2368   -0.8392    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2088   -1.3484   -0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0616   -0.6038   -1.9389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8814   -2.7861   -0.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5163   -3.5298    0.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4367   -3.1089   -1.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2820   -4.5382   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -2.3203   -0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3944   -4.6166    1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.7056    2.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1548   -5.0301    2.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4654   -2.8278    1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5153   -0.8895    0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    0.9068   -0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -1.7231    1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2235    3.7165   -2.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158    3.7280   -1.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005    2.4398   -2.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    3.8091   -2.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823    5.0413   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688    4.0392    2.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    3.8420    1.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4909    5.2183    0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831    6.3712    2.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    2.0171    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4591    2.0525    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710    0.6734   -1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269   -0.5236   -1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660   -1.4972    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542    0.1826    0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2504   -1.2592   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2365    0.4296   -1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8240   -0.9512   -2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3701   -3.0936   -1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6900   -2.9460    0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0885   -3.1877   -2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -4.5381    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399   -4.8338   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8608   -5.1976   -1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 15 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 22 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
  8  3  1  0
 18 11  1  0
 39 31  1  0
 19  7  1  0
 29 14  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
 13 46  1  0
 17 47  1  0
 21 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 25 52  1  0
 26 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
 28 57  1  0
 29 58  1  0
 31 59  1  0
 32 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 38 69  1  0
 38 70  1  0
M  END

HEADER    PROTEIN                                 04-JUL-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-13         0                                  
HETATM    1  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.671  -5.390   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      16.187  -5.657   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      14.671  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      13.337  -9.240   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      14.671 -10.010   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      18.672  -9.240   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0      17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      14.671 -11.550   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.197  -3.943   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      16.714  -3.675   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      14.207  -2.763   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      14.734  -1.316   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   35                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   35                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   32                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   29                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17   36                                             
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   29                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   28                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   20                                                       
CONECT   29   18   13   30                                                  
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   10   33                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33    3    7                                                  
CONECT   36   15   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

COMPND    HMDB0060823
HETATM    1  C1  UNL     1       5.724  -4.212   2.129  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.886  -3.198   1.610  1.00  0.00           O  
HETATM    3  C2  UNL     1       5.498  -2.119   0.982  1.00  0.00           C  
HETATM    4  C3  UNL     1       6.879  -2.021   0.860  1.00  0.00           C  
HETATM    5  C4  UNL     1       7.441  -0.927   0.227  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.599   0.043  -0.267  1.00  0.00           C  
HETATM    7  C6  UNL     1       5.218  -0.045  -0.150  1.00  0.00           C  
HETATM    8  C7  UNL     1       4.661  -1.140   0.482  1.00  0.00           C  
HETATM    9  C8  UNL     1       3.201  -1.241   0.611  1.00  0.00           C  
HETATM   10  O2  UNL     1       2.729  -2.249   1.192  1.00  0.00           O  
HETATM   11  C9  UNL     1       2.317  -0.212   0.086  1.00  0.00           C  
HETATM   12  C10 UNL     1       0.909  -0.306   0.209  1.00  0.00           C  
HETATM   13  O3  UNL     1       0.510  -1.445   0.861  1.00  0.00           O  
HETATM   14  C11 UNL     1       0.138   0.683  -0.300  1.00  0.00           C  
HETATM   15  C12 UNL     1       0.708   1.809  -0.949  1.00  0.00           C  
HETATM   16  C13 UNL     1       2.059   1.877  -1.055  1.00  0.00           C  
HETATM   17  O4  UNL     1       2.670   2.940  -1.673  1.00  0.00           O  
HETATM   18  C14 UNL     1       2.881   0.861  -0.535  1.00  0.00           C  
HETATM   19  C15 UNL     1       4.336   0.984  -0.676  1.00  0.00           C  
HETATM   20  O5  UNL     1       4.852   1.976  -1.250  1.00  0.00           O  
HETATM   21  C16 UNL     1      -0.253   2.835  -1.446  1.00  0.00           C  
HETATM   22  C17 UNL     1      -1.290   3.215  -0.410  1.00  0.00           C  
HETATM   23  O6  UNL     1      -2.284   3.915  -1.093  1.00  0.00           O  
HETATM   24  C18 UNL     1      -0.640   4.199   0.540  1.00  0.00           C  
HETATM   25  O7  UNL     1       0.351   3.505   1.235  1.00  0.00           O  
HETATM   26  C19 UNL     1      -1.718   4.699   1.487  1.00  0.00           C  
HETATM   27  O8  UNL     1      -1.123   5.549   2.413  1.00  0.00           O  
HETATM   28  C20 UNL     1      -1.824   2.028   0.335  1.00  0.00           C  
HETATM   29  C21 UNL     1      -1.312   0.714  -0.261  1.00  0.00           C  
HETATM   30  O9  UNL     1      -1.891  -0.300   0.431  1.00  0.00           O  
HETATM   31  C22 UNL     1      -2.864  -0.988  -0.292  1.00  0.00           C  
HETATM   32  C23 UNL     1      -4.237  -0.839   0.347  1.00  0.00           C  
HETATM   33  C24 UNL     1      -5.209  -1.348  -0.707  1.00  0.00           C  
HETATM   34  N1  UNL     1      -5.062  -0.604  -1.939  1.00  0.00           N  
HETATM   35  C25 UNL     1      -4.881  -2.786  -0.957  1.00  0.00           C  
HETATM   36  O10 UNL     1      -5.516  -3.530   0.061  1.00  0.00           O  
HETATM   37  C26 UNL     1      -3.437  -3.109  -1.023  1.00  0.00           C  
HETATM   38  C27 UNL     1      -3.282  -4.538  -0.478  1.00  0.00           C  
HETATM   39  O11 UNL     1      -2.590  -2.320  -0.318  1.00  0.00           O  
HETATM   40  H1  UNL     1       6.394  -4.617   1.327  1.00  0.00           H  
HETATM   41  H2  UNL     1       6.410  -3.706   2.862  1.00  0.00           H  
HETATM   42  H3  UNL     1       5.155  -5.030   2.600  1.00  0.00           H  
HETATM   43  H4  UNL     1       7.465  -2.828   1.277  1.00  0.00           H  
HETATM   44  H5  UNL     1       8.515  -0.890   0.153  1.00  0.00           H  
HETATM   45  H6  UNL     1       7.009   0.907  -0.766  1.00  0.00           H  
HETATM   46  H7  UNL     1      -0.392  -1.723   1.076  1.00  0.00           H  
HETATM   47  H8  UNL     1       2.224   3.717  -2.085  1.00  0.00           H  
HETATM   48  H9  UNL     1       0.316   3.728  -1.738  1.00  0.00           H  
HETATM   49  H10 UNL     1      -0.800   2.440  -2.318  1.00  0.00           H  
HETATM   50  H11 UNL     1      -2.239   3.809  -2.060  1.00  0.00           H  
HETATM   51  H12 UNL     1      -0.182   5.041  -0.026  1.00  0.00           H  
HETATM   52  H13 UNL     1       0.569   4.039   2.062  1.00  0.00           H  
HETATM   53  H14 UNL     1      -2.220   3.842   1.950  1.00  0.00           H  
HETATM   54  H15 UNL     1      -2.491   5.218   0.867  1.00  0.00           H  
HETATM   55  H16 UNL     1      -1.683   6.371   2.450  1.00  0.00           H  
HETATM   56  H17 UNL     1      -2.920   2.017   0.213  1.00  0.00           H  
HETATM   57  H18 UNL     1      -1.459   2.052   1.373  1.00  0.00           H  
HETATM   58  H19 UNL     1      -1.771   0.673  -1.308  1.00  0.00           H  
HETATM   59  H20 UNL     1      -2.927  -0.524  -1.288  1.00  0.00           H  
HETATM   60  H21 UNL     1      -4.266  -1.497   1.219  1.00  0.00           H  
HETATM   61  H22 UNL     1      -4.454   0.183   0.664  1.00  0.00           H  
HETATM   62  H23 UNL     1      -6.250  -1.259  -0.338  1.00  0.00           H  
HETATM   63  H24 UNL     1      -5.236   0.430  -1.770  1.00  0.00           H  
HETATM   64  H25 UNL     1      -5.824  -0.951  -2.585  1.00  0.00           H  
HETATM   65  H26 UNL     1      -5.370  -3.094  -1.905  1.00  0.00           H  
HETATM   66  H27 UNL     1      -5.690  -2.946   0.859  1.00  0.00           H  
HETATM   67  H28 UNL     1      -3.088  -3.188  -2.094  1.00  0.00           H  
HETATM   68  H29 UNL     1      -3.848  -4.538   0.485  1.00  0.00           H  
HETATM   69  H30 UNL     1      -2.240  -4.834  -0.374  1.00  0.00           H  
HETATM   70  H31 UNL     1      -3.861  -5.198  -1.164  1.00  0.00           H  
CONECT    1    2   40   41   42
CONECT    2    3
CONECT    3    4    4    8
CONECT    4    5   43
CONECT    5    6    6   44
CONECT    6    7   45
CONECT    7    8    8   19
CONECT    8    9
CONECT    9   10   10   11
CONECT   11   12   12   18
CONECT   12   13   14
CONECT   13   46
CONECT   14   15   15   29
CONECT   15   16   21
CONECT   16   17   18   18
CONECT   17   47
CONECT   18   19
CONECT   19   20   20
CONECT   21   22   48   49
CONECT   22   23   24   28
CONECT   23   50
CONECT   24   25   26   51
CONECT   25   52
CONECT   26   27   53   54
CONECT   27   55
CONECT   28   29   56   57
CONECT   29   30   58
CONECT   30   31
CONECT   31   32   39   59
CONECT   32   33   60   61
CONECT   33   34   35   62
CONECT   34   63   64
CONECT   35   36   37   65
CONECT   36   66
CONECT   37   38   39   67
CONECT   38   68   69   70
END

HMDB0060823
     RDKit          3D
Doxorubicinol aglycone
 70 74  0  0  0  0  0  0  0  0999 V2000
    5.7237   -4.2125    2.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856   -3.1978    1.6095 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4976   -2.1187    0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787   -2.0211    0.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4406   -0.9272    0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5990    0.0426   -0.2674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2184   -0.0452   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6607   -1.1397    0.4824 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2014   -1.2411    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   -2.2495    1.1923 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175   -0.2119    0.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095   -0.3058    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -1.4449    0.8610 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1382    0.6827   -0.2998 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    1.8089   -0.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0590    1.8770   -1.0548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6698    2.9397   -1.6733 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8814    0.8609   -0.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3357    0.9838   -0.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8524    1.9757   -1.2499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528    2.8353   -1.4460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2900    3.2154   -0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2838    3.9146   -1.0928 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6400    4.1986    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3508    3.5047    1.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178    4.6989    1.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1230    5.5492    2.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    2.0285    0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3123    0.7141   -0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8907   -0.2996    0.4309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643   -0.9876   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2368   -0.8392    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2088   -1.3484   -0.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0616   -0.6038   -1.9389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8814   -2.7861   -0.9573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5163   -3.5298    0.0612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4367   -3.1089   -1.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2820   -4.5382   -0.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5900   -2.3203   -0.3179 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3944   -4.6166    1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -3.7056    2.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1548   -5.0301    2.5996 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4654   -2.8278    1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5153   -0.8895    0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0091    0.9068   -0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924   -1.7231    1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2235    3.7165   -2.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3158    3.7280   -1.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8005    2.4398   -2.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2387    3.8091   -2.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1823    5.0413   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5688    4.0392    2.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    3.8420    1.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4909    5.2183    0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6831    6.3712    2.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9197    2.0171    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4591    2.0525    1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7710    0.6734   -1.3084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9269   -0.5236   -1.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2660   -1.4972    1.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542    0.1826    0.6637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2504   -1.2592   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2365    0.4296   -1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8240   -0.9512   -2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3701   -3.0936   -1.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6900   -2.9460    0.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0885   -3.1877   -2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8478   -4.5381    0.4854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2399   -4.8338   -0.3738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8608   -5.1976   -1.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 15 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 22 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
  8  3  1  0
 18 11  1  0
 39 31  1  0
 19  7  1  0
 29 14  1  0
  1 40  1  0
  1 41  1  0
  1 42  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
 13 46  1  0
 17 47  1  0
 21 48  1  0
 21 49  1  0
 23 50  1  0
 24 51  1  0
 25 52  1  0
 26 53  1  0
 26 54  1  0
 27 55  1  0
 28 56  1  0
 28 57  1  0
 29 58  1  0
 31 59  1  0
 32 60  1  0
 32 61  1  0
 33 62  1  0
 34 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 38 69  1  0
 38 70  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₁NO₁₁

Average Molecular Weight

545.5351

Monoisotopic Molecular Weight

545.189710839

IUPAC Name

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

Traditional Name

10-[(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy]-8-(1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-9,10-dihydro-7H-tetracene-5,12-dione

CAS Registry Number

Not Available

SMILES

COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(O)CO)C(O)=C1C2=O

InChI Identifier

InChI=1S/C27H31NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15-17,22,29-31,33,35-36H,6-9,28H2,1-2H3

InChI Key

NKZRZOVSJNSBFR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as furanoid lignans. These are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Not Available

Direct Parent

Furanoid lignans

Alternative Parents

Substituents

Furanoid lignan
Furofuran lignan skeleton
Methoxyphenol
Phenoxy compound
Anisole
Furofuran
Methoxybenzene
Phenol ether
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Tetrahydrofuran
Organoheterocyclic compound
Oxacycle
Ether
Dialkyl ether
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

a lignan (CPD-8906 )

Ontology

Not Available

Kidney (HMDB: HMDB0060823)
Liver (HMDB: HMDB0060823)

Non-excretory biofluid

Biofluid or Excreta

Blood (HMDB: HMDB0060823)

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0060823)

Cellular substructure

Cytoplasm (HMDB: HMDB0060823)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.49 g/L	ALOGPS
logP	0.35	ALOGPS
logP	0.23	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	9.74	ChemAxon
pKa (Strongest Basic)	9.14	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	209.23 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	135.36 m³·mol⁻¹	ChemAxon
Polarizability	56.12 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	225.555	31661259
DarkChem	[M-H]-	215.13	31661259
DeepCCS	[M+H]+	212.078	30932474
DeepCCS	[M-H]-	209.682	30932474
DeepCCS	[M-2H]-	242.566	30932474
DeepCCS	[M+Na]+	217.99	30932474
AllCCS	[M+H]+	223.6	32859911
AllCCS	[M+H-H2O]+	222.1	32859911
AllCCS	[M+NH4]+	225.0	32859911
AllCCS	[M+Na]+	225.4	32859911
AllCCS	[M-H]-	221.9	32859911
AllCCS	[M+Na-2H]-	223.6	32859911
AllCCS	[M+HCOO]-	225.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Doxorubicinol aglycone	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(O)CO)C(O)=C1C2=O	4341.4	Standard polar	33892256
Doxorubicinol aglycone	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(O)CO)C(O)=C1C2=O	4178.6	Standard non polar	33892256
Doxorubicinol aglycone	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(CC3OC3CC(N)C(O)C(C)O3)C(O)CO)C(O)=C1C2=O	4778.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Doxorubicinol aglycone,1TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4801.9	Semi standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4458.8	Standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6940.0	Standard polar	33892256
Doxorubicinol aglycone,1TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4740.0	Semi standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4476.4	Standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	7101.3	Standard polar	33892256
Doxorubicinol aglycone,1TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4765.7	Semi standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4475.2	Standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6790.5	Standard polar	33892256
Doxorubicinol aglycone,1TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4683.9	Semi standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4474.9	Standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6868.8	Standard polar	33892256
Doxorubicinol aglycone,1TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4692.1	Semi standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4513.5	Standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6946.3	Standard polar	33892256
Doxorubicinol aglycone,1TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4810.7	Semi standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4451.4	Standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6952.9	Standard polar	33892256
Doxorubicinol aglycone,1TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4814.7	Semi standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4599.8	Standard non polar	33892256
Doxorubicinol aglycone,1TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6813.1	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4680.7	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4437.3	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6492.9	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4614.1	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4486.2	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6480.2	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4643.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4600.9	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6505.2	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4672.8	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4471.3	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6368.9	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4572.3	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4491.7	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6275.5	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4581.8	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4520.3	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6355.4	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4696.0	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4585.7	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6177.9	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4595.2	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4466.3	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6412.2	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4538.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4516.0	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6442.5	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4583.6	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4607.7	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6289.7	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4601.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4489.0	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6497.0	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4640.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4448.5	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6606.4	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4599.7	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4635.1	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6371.2	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4720.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4580.6	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6374.1	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4823.5	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4695.7	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6475.3	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4586.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4463.0	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6410.8	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4597.3	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4487.2	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6490.1	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4664.9	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4460.9	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6361.4	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4713.0	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4579.1	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6360.6	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4643.3	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4453.0	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6624.9	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4565.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4470.7	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6557.6	Standard polar	33892256
Doxorubicinol aglycone,2TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4596.7	Semi standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4510.7	Standard non polar	33892256
Doxorubicinol aglycone,2TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6607.9	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4498.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4432.0	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6216.3	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4424.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4480.7	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6085.4	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4456.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4468.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5939.0	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4472.0	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4577.9	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5933.0	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4461.7	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4479.9	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6012.6	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4483.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4588.9	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5994.8	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4558.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4549.6	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5824.2	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4657.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4643.1	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6098.7	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4468.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4448.4	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6152.1	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4488.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4478.1	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6215.6	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4502.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4470.8	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6112.6	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4468.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4442.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6057.7	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4520.5	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4569.6	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6110.2	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4442.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4486.5	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6190.1	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4437.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4479.6	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6036.1	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4448.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4584.6	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6028.3	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4452.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4514.8	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6084.7	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4464.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4616.8	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6097.8	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4489.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4577.4	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5922.3	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4631.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4667.1	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6198.8	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4467.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4481.6	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5937.9	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4471.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4490.2	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6018.4	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4469.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4451.9	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6136.5	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4562.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4563.7	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5836.4	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4415.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4520.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5959.2	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4428.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4589.2	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5761.7	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4444.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4599.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5821.2	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4726.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4657.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5957.7	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4433.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4491.5	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6084.8	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4481.5	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4584.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5937.4	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4412.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4613.7	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5945.9	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4588.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4689.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6028.4	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4490.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4588.9	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6005.5	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4547.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4444.7	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6028.4	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4595.7	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4702.0	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6094.1	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4683.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4654.8	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	6106.0	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4584.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4545.7	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5996.8	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4458.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4442.3	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6148.6	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4479.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4476.6	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6196.9	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4491.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4462.2	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	6093.7	Standard polar	33892256
Doxorubicinol aglycone,3TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4515.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4563.5	Standard non polar	33892256
Doxorubicinol aglycone,3TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6087.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4348.2	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4431.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5822.1	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4446.4	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4517.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5538.5	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4522.5	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4603.4	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5798.9	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4340.4	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4465.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5853.1	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4335.2	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4467.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5718.5	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4355.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4546.8	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5683.0	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4340.2	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4486.8	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5766.4	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4361.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4571.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5739.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4383.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4542.1	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5582.3	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4478.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4628.0	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5857.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4317.1	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4482.0	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5681.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4346.0	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4454.8	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5883.1	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4320.2	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4567.1	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5639.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4331.5	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4543.8	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5478.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4453.9	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4642.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5735.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4347.2	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4547.4	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5522.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4449.6	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4645.9	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5786.3	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4571.9	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4602.8	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5658.4	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4346.1	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4457.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5856.3	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4344.9	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4465.3	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5721.9	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4367.3	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4549.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5686.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4344.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4485.1	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5784.3	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4368.9	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4449.1	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5794.0	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4367.4	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4572.5	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5761.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4383.3	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4547.9	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5604.4	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4489.6	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4635.5	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5877.0	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4320.0	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4489.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5749.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4321.3	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4569.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5700.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4301.3	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4555.4	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5524.7	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4448.0	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4655.9	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5797.1	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4298.2	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4577.7	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5580.9	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4459.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4681.7	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5855.5	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4510.4	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4634.7	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5723.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4401.2	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4528.1	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O[Si](C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5752.4	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4315.0	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4493.5	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5679.7	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4336.9	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4557.4	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5480.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #42	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4346.5	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #42	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4557.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #42	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5531.5	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #43	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4584.0	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #43	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4618.6	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #43	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5664.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #44	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4268.3	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #44	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4575.1	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #44	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5474.1	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #45	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4467.0	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #45	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4648.7	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #45	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5593.5	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #46	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4486.3	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #46	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	4653.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #46	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(C)O3)C(O)=C1C2=O	5643.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #47	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4320.6	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #47	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4574.0	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #47	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5642.6	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #48	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4470.5	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #48	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4653.9	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #48	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5734.9	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #49	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4426.7	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #49	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4686.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #49	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5732.3	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4312.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4451.8	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C)O[Si](C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5786.2	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #50	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4466.3	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #50	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4654.9	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #50	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N([Si](C)(C)C)[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5792.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4346.4	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4449.7	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5666.3	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4368.9	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4534.3	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5637.5	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4346.7	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4453.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5736.8	Standard polar	33892256
Doxorubicinol aglycone,4TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4374.8	Semi standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	4538.2	Standard non polar	33892256
Doxorubicinol aglycone,4TMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C)CC3OC3CC(N[Si](C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C)=C1C2=O	5690.1	Standard polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5007.1	Semi standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4685.3	Standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6856.9	Standard polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4952.2	Semi standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4699.0	Standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6952.6	Standard polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4997.5	Semi standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4716.5	Standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6718.2	Standard polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4911.9	Semi standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4716.9	Standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6785.8	Standard polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4915.4	Semi standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4733.2	Standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6875.8	Standard polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5005.5	Semi standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4686.9	Standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6861.5	Standard polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5066.8	Semi standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4809.6	Standard non polar	33892256
Doxorubicinol aglycone,1TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6710.7	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5107.6	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4828.0	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6425.3	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5057.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4893.5	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6341.2	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5082.9	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4984.8	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6350.9	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5115.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4880.6	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6306.5	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5025.8	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4922.8	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6218.2	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5037.6	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4934.3	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6296.3	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5144.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4985.3	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6154.6	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5033.8	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4880.7	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6339.0	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5007.3	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4935.6	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6367.2	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5048.6	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5017.8	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6238.1	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5039.0	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4893.3	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6422.9	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5064.7	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4842.1	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6458.3	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5054.4	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5024.8	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6305.5	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5150.5	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4968.7	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6302.0	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5194.1	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5052.3	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6354.5	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5027.6	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4873.4	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6345.4	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5035.6	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4883.9	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6422.7	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5115.8	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	4867.7	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6306.3	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5143.3	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	4967.1	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6297.8	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5067.3	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4843.9	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6469.8	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5023.7	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4877.3	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6402.4	Standard polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5040.5	Semi standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4908.8	Standard non polar	33892256
Doxorubicinol aglycone,2TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6457.5	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5099.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4951.6	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #1	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6129.0	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5078.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5051.5	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #10	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6044.9	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5106.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5030.4	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #11	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5924.6	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5091.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5131.9	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #12	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5946.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5112.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5042.0	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #13	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5985.3	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5111.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5139.0	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #14	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5998.1	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5194.0	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5095.2	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #15	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5866.3	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5280.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5152.4	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #16	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6063.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5128.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4984.8	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #17	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6056.2	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5134.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5020.2	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #18	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6117.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5153.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5003.1	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #19	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6018.6	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5090.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4980.5	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #2	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6033.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5145.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5095.7	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #20	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6033.6	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5141.5	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5047.9	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #21	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6075.8	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5141.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5041.4	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #22	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5948.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5116.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5129.2	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #23	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5966.7	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5154.8	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5076.0	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #24	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5995.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5132.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5163.1	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #25	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6022.3	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5129.7	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5119.1	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #26	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5887.8	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5232.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5182.3	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #27	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6087.0	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5121.3	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5041.1	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #28	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5916.1	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5128.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5050.8	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #29	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5983.0	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5074.7	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4991.6	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #3	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6101.7	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5202.0	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5103.0	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #30	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5867.5	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5121.5	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5106.9	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #31	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5924.0	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5078.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5157.9	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #32	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5806.6	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5105.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5164.5	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #33	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5856.6	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5307.2	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5190.3	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #34	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5940.8	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5102.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5059.2	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #35	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6036.1	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5109.0	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5135.7	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #36	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5941.6	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5092.7	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5184.0	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #37	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5945.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5194.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5223.0	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #38	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5995.7	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5126.5	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5140.7	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #39	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5999.8	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5162.4	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	4974.9	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #4	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6005.1	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5210.0	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5223.6	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #40	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6051.1	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5298.5	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5170.3	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #41	COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(CC(O)(C(O)CO)CC3OC3CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6062.2	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5177.5	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	5071.5	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #5	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O[Si](C)(C)C(C)(C)C)=C1C2=O	6001.9	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5102.9	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	4993.0	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #6	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(CO)O[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6061.3	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5109.6	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	5030.4	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #7	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO[Si](C)(C)C(C)(C)C)CC3OC3CC(N)C(O)C(C)O3)C(O)=C1C2=O	6109.0	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5131.7	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	5005.4	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #8	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N)C(O[Si](C)(C)C(C)(C)C)C(C)O3)C(O)=C1C2=O	6009.4	Standard polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5130.1	Semi standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	5100.6	Standard non polar	33892256
Doxorubicinol aglycone,3TBDMS,isomer #9	COC1=CC=CC2=C1C(=O)C1=C(O[Si](C)(C)C(C)(C)C)C3=C(CC(O[Si](C)(C)C(C)(C)C)(C(O)CO)CC3OC3CC(N[Si](C)(C)C(C)(C)C)C(O)C(C)O3)C(O)=C1C2=O	6020.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Doxorubicinol aglycone GC-MS (Non-derivatized) - 70eV, Positive	splash10-03di-9101330000-1b7710a9906af1ae6583	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Doxorubicinol aglycone GC-MS (2 TMS) - 70eV, Positive	splash10-05cr-9100027000-9c9cf29a2155532f09af	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 10V, Positive-QTOF	splash10-002b-0005590000-22d788d9c94ab3ec7f3e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 20V, Positive-QTOF	splash10-000t-0429330000-4240ddd9eaf1e6cd56f5	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 40V, Positive-QTOF	splash10-0a4j-4119300000-807ab1c0cfb4bf0319a0	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 10V, Negative-QTOF	splash10-0006-1002190000-0f50bd50a2c6374a741e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 20V, Negative-QTOF	splash10-016u-5207940000-f6481a8e10dbe743d689	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 40V, Negative-QTOF	splash10-014i-4107900000-0612ce80de222b07a529	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 10V, Positive-QTOF	splash10-000t-1908080000-e6e963ca0eedbfb22647	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 20V, Positive-QTOF	splash10-01qa-3819140000-79867973fc131f08dfa7	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 40V, Positive-QTOF	splash10-03di-6910210000-7fdafa29b9f5726bd1b8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 10V, Negative-QTOF	splash10-0002-0009000000-7f627ea66319905cc2bf	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 20V, Negative-QTOF	splash10-00m1-0009100000-b323e052aab7704d0f94	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Doxorubicinol aglycone 40V, Negative-QTOF	splash10-00l7-1009330000-9ce9bf8a5f340af2750a	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

380335

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

430051

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Doxorubicinol aglycone (HMDB0060823)

MOL for HMDB0060823 (Doxorubicinol aglycone)

3D MOL for HMDB0060823 (Doxorubicinol aglycone)

3D SDF for HMDB0060823 (Doxorubicinol aglycone)

3D-SDF for HMDB0060823 (Doxorubicinol aglycone)

PDB for HMDB0060823 (Doxorubicinol aglycone)

3D PDB for HMDB0060823 (Doxorubicinol aglycone)

SMILES for HMDB0060823 (Doxorubicinol aglycone)

INCHI for HMDB0060823 (Doxorubicinol aglycone)

Structure for HMDB0060823 (Doxorubicinol aglycone)

3D Structure for HMDB0060823 (Doxorubicinol aglycone)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra