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Showing metabocard for Goshonoside F4 (HMDB0038377)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:41:14 UTC
Update Date2022-03-07 02:55:44 UTC
HMDB IDHMDB0038377
Secondary Accession Numbers
  • HMDB38377
Metabolite Identification
Common NameGoshonoside F4
DescriptionGoshonoside F4 belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Based on a literature review a small amount of articles have been published on Goshonoside F4.
Structure
Data?1563863187
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0038377 (Goshonoside F4)


  Mrv0541 02241211162D          

 44 47  0  0  0  0            999 V2000
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M  END
Download

3D MOL for HMDB0038377 (Goshonoside F4)

HMDB0038377
     RDKit          3D
Goshonoside F4
 98101  0  0  0  0  0  0  0  0999 V2000
   -1.0140    2.6101   -2.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
Download

3D SDF for HMDB0038377 (Goshonoside F4)


  Mrv0541 02241211162D          

 44 47  0  0  0  0            999 V2000
    0.3946    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190    1.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190    0.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1774    1.6017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774    0.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4624    0.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9317   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    2.0142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    2.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190    3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190    4.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0340    4.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9931   -0.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7113   -1.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2406   -1.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9588   -2.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4894   -3.0811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2076   -3.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5839   -2.1626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3020   -2.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8313   -3.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1096    4.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8244    4.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    4.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2530    4.4890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666    4.0765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815    4.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3964    4.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8244    2.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2530    2.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666    3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6815    2.8391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2530    2.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  0  0  0  0
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 27 30  1  0  0  0  0
 28 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 40  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 42  1  0  0  0  0
 37 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 44  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038377

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-

> <INCHI_KEY>
YQDMUEBOTCUADA-YVLHZVERSA-N

> <FORMULA>
C32H54O12

> <MOLECULAR_WEIGHT>
630.764

> <EXACT_MASS>
630.361527192

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
68.06470902991772

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({1,4a-dimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-decahydronaphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
0.35

> <JCHEM_LOGP>
0.3368679983333337

> <ALOGPS_LOGS>
-3.32

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.43080913686643

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.909711827164848

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083413061712

> <JCHEM_POLAR_SURFACE_AREA>
198.76

> <JCHEM_REFRACTIVITY>
158.6551

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.04e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({1,4a-dimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0038377 (Goshonoside F4)

HMDB0038377
     RDKit          3D
Goshonoside F4
 98101  0  0  0  0  0  0  0  0999 V2000
   -1.0140    2.6101   -2.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5244    1.7691   -1.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809    2.0873    0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693    1.9945    0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8004    0.7790    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2668    1.1518    0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965    1.9806    1.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1918   -0.0096    0.3411 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5269    0.4745    0.4134 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4097   -0.5983    0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0776   -0.3316    1.7869 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2375   -1.0204    2.0096 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0056   -2.4535    2.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2810   -2.4811    3.6526 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2457   -0.9613    0.9052 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3267   -1.7533    1.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5638   -1.4242   -0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3748   -1.2836   -1.4872 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3549   -0.5755   -0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7419    0.7417   -0.8040 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6990    2.0599   -1.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8374    2.0490   -2.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1927    0.7375   -2.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904    0.1894   -1.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894   -1.2943   -1.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0482    0.3798   -1.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0304   -0.5487   -1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4522   -0.2651   -1.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4040   -1.1752   -0.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9776    1.0366   -0.4762 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.6504    1.2582    2.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4568   -0.6710    0.8923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8664   -1.6280    1.8348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6646   -1.4184   -0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5272   -2.1194   -0.9672 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8529   -0.4007   -0.9265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7807    0.5350   -1.4401 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3483    3.5957   -1.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    2.3256   -3.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6932    3.1435    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9222    1.3671    0.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1651    2.0594    1.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5458    2.9020    0.0441 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6412   -0.0110    0.8115 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1246    3.0180    1.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5128    1.9978    1.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9683    1.4678    2.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9876   -0.3664    1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -0.8145   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8238   -1.5277    0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7268   -0.5241    2.9016 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9999   -2.9017    2.7011 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5596   -3.0874    1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3425   -2.7209    3.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5571    0.0893    0.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9600   -1.7012    0.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2565   -2.4829   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2899   -0.4036   -1.9209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7591   -0.9141   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0819    1.2379   -1.3607 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7824    3.1211   -0.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    1.7819   -1.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1274    2.9243   -2.2519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4800    2.2420   -3.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    0.8569   -3.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9870    0.0301   -2.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131   -1.9016   -1.8097 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   -1.4965   -1.9213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9303   -1.6854   -0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1217   -1.5397    0.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6762   -0.4115    0.8511 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
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 41 43  1  0
 43 44  1  0
 26  2  1  0
 43 34  1  0
 24  5  1  0
 19 10  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  0
  7 52  1  0
  7 53  1  0
  7 54  1  0
  8 55  1  0
  8 56  1  0
 10 57  1  0
 12 58  1  0
 13 59  1  0
 13 60  1  0
 14 61  1  0
 15 62  1  0
 16 63  1  0
 17 64  1  0
 18 65  1  0
 19 66  1  0
 20 67  1  0
 21 68  1  0
 21 69  1  0
 22 70  1  0
 22 71  1  0
 23 72  1  0
 23 73  1  0
 25 74  1  0
 25 75  1  0
 25 76  1  0
 26 77  1  0
 27 78  1  0
 27 79  1  0
 28 80  1  0
 28 81  1  0
 30 82  1  0
 30 83  1  0
 30 84  1  0
 31 85  1  0
 32 86  1  0
 32 87  1  0
 34 88  1  0
 36 89  1  0
 37 90  1  0
 37 91  1  0
 38 92  1  0
 39 93  1  0
 40 94  1  0
 41 95  1  0
 42 96  1  0
 43 97  1  0
 44 98  1  0
M  END
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PDB for HMDB0038377 (Goshonoside F4)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.737   3.760   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.596   2.990   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.596   1.450   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.930   0.680   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.264   1.450   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.264   4.530   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.264   2.990   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.596   3.760   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.931   2.990   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.931   1.450   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.596   0.680   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.606  -0.498   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.930   3.760   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.930   5.300   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.596   6.070   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.596   7.609   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.930   8.379   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.587  -0.498   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -5.061  -1.945   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -6.049  -3.126   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -5.523  -4.571   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -6.514  -5.751   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.988  -7.199   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -6.976  -8.379   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -8.092  -1.411   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -7.566  -2.856   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -8.557  -4.037   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -8.030  -5.485   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -9.018  -6.665   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0     -10.073  -3.770   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       0.737   8.379   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.071   7.609   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       3.406   8.379   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       4.738   7.609   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       6.072   8.379   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       7.404   7.609   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.739   8.379   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      10.073   7.609   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       3.406   5.300   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.738   6.070   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.072   5.300   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.404   6.070   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       8.739   5.300   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       6.072   3.760   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   13                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    7   11                                                  
CONECT    6    7                                                            
CONECT    7    5    6    8   13                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11    5   10   12   18                                             
CONECT   12   11                                                            
CONECT   13    2    7   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   31                                                  
CONECT   17   16                                                            
CONECT   18   11   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   26                                                  
CONECT   21   20   22                                                       
CONECT   22   21   23   28                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   26                                                            
CONECT   26   20   25   27                                                  
CONECT   27   26   28   30                                                  
CONECT   28   22   27   29                                                  
CONECT   29   28                                                            
CONECT   30   27                                                            
CONECT   31   16   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   40                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   42                                                  
CONECT   37   36   38                                                       
CONECT   38   37                                                            
CONECT   39   40                                                            
CONECT   40   34   39   41                                                  
CONECT   41   40   42   44                                                  
CONECT   42   36   41   43                                                  
CONECT   43   42                                                            
CONECT   44   41                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   94    0
END
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3D PDB for HMDB0038377 (Goshonoside F4)

COMPND    HMDB0038377
HETATM    1  C1  UNL     1      -1.014   2.610  -2.146  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.524   1.769  -1.279  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.381   2.087   0.168  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.069   1.995   0.471  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.800   0.779   0.019  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.267   1.152   0.112  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.396   1.981   1.410  1.00  0.00           C  
HETATM    8  C8  UNL     1       4.192  -0.010   0.341  1.00  0.00           C  
HETATM    9  O1  UNL     1       5.527   0.474   0.413  1.00  0.00           O  
HETATM   10  C9  UNL     1       6.410  -0.598   0.623  1.00  0.00           C  
HETATM   11  O2  UNL     1       7.078  -0.332   1.787  1.00  0.00           O  
HETATM   12  C10 UNL     1       8.238  -1.020   2.010  1.00  0.00           C  
HETATM   13  C11 UNL     1       8.006  -2.453   2.461  1.00  0.00           C  
HETATM   14  O3  UNL     1       7.281  -2.481   3.653  1.00  0.00           O  
HETATM   15  C12 UNL     1       9.246  -0.961   0.905  1.00  0.00           C  
HETATM   16  O4  UNL     1      10.327  -1.753   1.210  1.00  0.00           O  
HETATM   17  C13 UNL     1       8.564  -1.424  -0.364  1.00  0.00           C  
HETATM   18  O5  UNL     1       9.375  -1.284  -1.487  1.00  0.00           O  
HETATM   19  C14 UNL     1       7.355  -0.576  -0.558  1.00  0.00           C  
HETATM   20  O6  UNL     1       7.742   0.742  -0.804  1.00  0.00           O  
HETATM   21  C15 UNL     1       3.699   2.060  -1.003  1.00  0.00           C  
HETATM   22  C16 UNL     1       2.837   2.049  -2.216  1.00  0.00           C  
HETATM   23  C17 UNL     1       2.193   0.737  -2.472  1.00  0.00           C  
HETATM   24  C18 UNL     1       1.390   0.189  -1.291  1.00  0.00           C  
HETATM   25  C19 UNL     1       1.689  -1.294  -1.273  1.00  0.00           C  
HETATM   26  C20 UNL     1      -0.048   0.380  -1.645  1.00  0.00           C  
HETATM   27  C21 UNL     1      -1.030  -0.549  -1.023  1.00  0.00           C  
HETATM   28  C22 UNL     1      -2.452  -0.265  -1.576  1.00  0.00           C  
HETATM   29  C23 UNL     1      -3.404  -1.175  -0.956  1.00  0.00           C  
HETATM   30  C24 UNL     1      -3.174  -2.649  -1.167  1.00  0.00           C  
HETATM   31  C25 UNL     1      -4.425  -0.786  -0.241  1.00  0.00           C  
HETATM   32  C26 UNL     1      -4.712   0.634   0.011  1.00  0.00           C  
HETATM   33  O7  UNL     1      -5.978   1.037  -0.476  1.00  0.00           O  
HETATM   34  C27 UNL     1      -6.995   0.335   0.111  1.00  0.00           C  
HETATM   35  O8  UNL     1      -7.898   1.170   0.792  1.00  0.00           O  
HETATM   36  C28 UNL     1      -8.661   0.364   1.619  1.00  0.00           C  
HETATM   37  C29 UNL     1      -9.650   1.258   2.374  1.00  0.00           C  
HETATM   38  O9  UNL     1      -9.000   2.204   3.142  1.00  0.00           O  
HETATM   39  C30 UNL     1      -9.457  -0.671   0.892  1.00  0.00           C  
HETATM   40  O10 UNL     1      -9.866  -1.628   1.835  1.00  0.00           O  
HETATM   41  C31 UNL     1      -8.665  -1.418  -0.155  1.00  0.00           C  
HETATM   42  O11 UNL     1      -9.527  -2.119  -0.967  1.00  0.00           O  
HETATM   43  C32 UNL     1      -7.853  -0.401  -0.926  1.00  0.00           C  
HETATM   44  O12 UNL     1      -8.781   0.535  -1.440  1.00  0.00           O  
HETATM   45  H1  UNL     1      -1.348   3.596  -1.868  1.00  0.00           H  
HETATM   46  H2  UNL     1      -1.095   2.326  -3.185  1.00  0.00           H  
HETATM   47  H3  UNL     1      -0.693   3.143   0.375  1.00  0.00           H  
HETATM   48  H4  UNL     1      -0.922   1.367   0.779  1.00  0.00           H  
HETATM   49  H5  UNL     1       1.165   2.059   1.590  1.00  0.00           H  
HETATM   50  H6  UNL     1       1.546   2.902   0.044  1.00  0.00           H  
HETATM   51  H7  UNL     1       1.641  -0.011   0.812  1.00  0.00           H  
HETATM   52  H8  UNL     1       3.125   3.018   1.248  1.00  0.00           H  
HETATM   53  H9  UNL     1       4.513   1.998   1.616  1.00  0.00           H  
HETATM   54  H10 UNL     1       2.968   1.468   2.271  1.00  0.00           H  
HETATM   55  H11 UNL     1       3.988  -0.366   1.394  1.00  0.00           H  
HETATM   56  H12 UNL     1       4.155  -0.814  -0.377  1.00  0.00           H  
HETATM   57  H13 UNL     1       5.824  -1.528   0.677  1.00  0.00           H  
HETATM   58  H14 UNL     1       8.727  -0.524   2.902  1.00  0.00           H  
HETATM   59  H15 UNL     1       9.000  -2.902   2.701  1.00  0.00           H  
HETATM   60  H16 UNL     1       7.560  -3.087   1.679  1.00  0.00           H  
HETATM   61  H17 UNL     1       6.343  -2.721   3.397  1.00  0.00           H  
HETATM   62  H18 UNL     1       9.557   0.089   0.738  1.00  0.00           H  
HETATM   63  H19 UNL     1      10.960  -1.701   0.438  1.00  0.00           H  
HETATM   64  H20 UNL     1       8.256  -2.483  -0.328  1.00  0.00           H  
HETATM   65  H21 UNL     1       9.290  -0.404  -1.921  1.00  0.00           H  
HETATM   66  H22 UNL     1       6.759  -0.914  -1.443  1.00  0.00           H  
HETATM   67  H23 UNL     1       7.082   1.238  -1.361  1.00  0.00           H  
HETATM   68  H24 UNL     1       3.782   3.121  -0.668  1.00  0.00           H  
HETATM   69  H25 UNL     1       4.737   1.782  -1.322  1.00  0.00           H  
HETATM   70  H26 UNL     1       2.127   2.924  -2.252  1.00  0.00           H  
HETATM   71  H27 UNL     1       3.480   2.242  -3.134  1.00  0.00           H  
HETATM   72  H28 UNL     1       1.534   0.857  -3.373  1.00  0.00           H  
HETATM   73  H29 UNL     1       2.987   0.030  -2.799  1.00  0.00           H  
HETATM   74  H30 UNL     1       0.913  -1.902  -1.810  1.00  0.00           H  
HETATM   75  H31 UNL     1       2.600  -1.496  -1.921  1.00  0.00           H  
HETATM   76  H32 UNL     1       1.930  -1.685  -0.288  1.00  0.00           H  
HETATM   77  H33 UNL     1      -0.183   0.313  -2.745  1.00  0.00           H  
HETATM   78  H34 UNL     1      -0.897  -1.622  -1.218  1.00  0.00           H  
HETATM   79  H35 UNL     1      -1.142  -0.469   0.076  1.00  0.00           H  
HETATM   80  H36 UNL     1      -2.623   0.804  -1.499  1.00  0.00           H  
HETATM   81  H37 UNL     1      -2.403  -0.483  -2.681  1.00  0.00           H  
HETATM   82  H38 UNL     1      -2.770  -2.799  -2.192  1.00  0.00           H  
HETATM   83  H39 UNL     1      -4.148  -3.135  -1.122  1.00  0.00           H  
HETATM   84  H40 UNL     1      -2.447  -2.997  -0.415  1.00  0.00           H  
HETATM   85  H41 UNL     1      -5.122  -1.540   0.210  1.00  0.00           H  
HETATM   86  H42 UNL     1      -4.850   0.763   1.143  1.00  0.00           H  
HETATM   87  H43 UNL     1      -3.954   1.354  -0.249  1.00  0.00           H  
HETATM   88  H44 UNL     1      -6.676  -0.412   0.851  1.00  0.00           H  
HETATM   89  H45 UNL     1      -7.983  -0.107   2.371  1.00  0.00           H  
HETATM   90  H46 UNL     1     -10.288   0.571   2.963  1.00  0.00           H  
HETATM   91  H47 UNL     1     -10.320   1.757   1.636  1.00  0.00           H  
HETATM   92  H48 UNL     1      -9.060   3.086   2.655  1.00  0.00           H  
HETATM   93  H49 UNL     1     -10.336  -0.192   0.418  1.00  0.00           H  
HETATM   94  H50 UNL     1     -10.838  -1.642   1.890  1.00  0.00           H  
HETATM   95  H51 UNL     1      -7.978  -2.150   0.344  1.00  0.00           H  
HETATM   96  H52 UNL     1      -9.568  -3.049  -0.685  1.00  0.00           H  
HETATM   97  H53 UNL     1      -7.233  -0.841  -1.721  1.00  0.00           H  
HETATM   98  H54 UNL     1      -8.857   0.475  -2.420  1.00  0.00           H  
CONECT    1    2    2   45   46
CONECT    2    3   26
CONECT    3    4   47   48
CONECT    4    5   49   50
CONECT    5    6   24   51
CONECT    6    7    8   21
CONECT    7   52   53   54
CONECT    8    9   55   56
CONECT    9   10
CONECT   10   11   19   57
CONECT   11   12
CONECT   12   13   15   58
CONECT   13   14   59   60
CONECT   14   61
CONECT   15   16   17   62
CONECT   16   63
CONECT   17   18   19   64
CONECT   18   65
CONECT   19   20   66
CONECT   20   67
CONECT   21   22   68   69
CONECT   22   23   70   71
CONECT   23   24   72   73
CONECT   24   25   26
CONECT   25   74   75   76
CONECT   26   27   77
CONECT   27   28   78   79
CONECT   28   29   80   81
CONECT   29   30   31   31
CONECT   30   82   83   84
CONECT   31   32   85
CONECT   32   33   86   87
CONECT   33   34
CONECT   34   35   43   88
CONECT   35   36
CONECT   36   37   39   89
CONECT   37   38   90   91
CONECT   38   92
CONECT   39   40   41   93
CONECT   40   94
CONECT   41   42   43   95
CONECT   42   96
CONECT   43   44   97
CONECT   44   98
END
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SMILES for HMDB0038377 (Goshonoside F4)

C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O
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INCHI for HMDB0038377 (Goshonoside F4)

InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC32H54O12
Average Molecular Weight630.764
Monoisotopic Molecular Weight630.361527192
IUPAC Name2-({1,4a-dimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-decahydronaphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name2-({1,4a-dimethyl-5-[(3Z)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number90851-27-7
SMILES
C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C32H54O12/c1-17(10-13-41-29-27(39)25(37)23(35)20(14-33)43-29)6-8-19-18(2)7-9-22-31(3,11-5-12-32(19,22)4)16-42-30-28(40)26(38)24(36)21(15-34)44-30/h10,19-30,33-40H,2,5-9,11-16H2,1,3-4H3/b17-10-
InChI KeyYQDMUEBOTCUADA-YVLHZVERSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTerpene glycosides
Direct ParentDiterpene glycosides
Alternative Parents
Substituents
  • Diterpene glycoside
  • Labdane diterpenoid
  • Diterpenoid
  • Fatty acyl glycoside
  • Fatty acyl glycoside of mono- or disaccharide
  • Alkyl glycoside
  • Glycosyl compound
  • O-glycosyl compound
  • Oxane
  • Monosaccharide
  • Fatty acyl
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Organooxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility4.63 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.3 g/LALOGPS
logP0.35ALOGPS
logP0.34ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)11.91ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area198.76 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity158.66 m³·mol⁻¹ChemAxon
Polarizability68.06 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+241.61631661259
DarkChem[M-H]-225.09431661259
DeepCCS[M-2H]-273.87530932474
DeepCCS[M+Na]+249.29930932474
AllCCS[M+H]+246.732859911
AllCCS[M+H-H2O]+245.932859911
AllCCS[M+NH4]+247.332859911
AllCCS[M+Na]+247.532859911
AllCCS[M-H]-229.432859911
AllCCS[M+Na-2H]-233.232859911
AllCCS[M+HCOO]-237.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Goshonoside F4C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O3086.2Standard polar33892256
Goshonoside F4C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O4357.2Standard non polar33892256
Goshonoside F4C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC12C)=C\COC1OC(CO)C(O)C(O)C1O4894.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Goshonoside F4,1TMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4934.2Semi standard non polar33892256
Goshonoside F4,1TMS,isomer #2C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4953.4Semi standard non polar33892256
Goshonoside F4,1TMS,isomer #3C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4910.4Semi standard non polar33892256
Goshonoside F4,1TMS,isomer #4C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4924.7Semi standard non polar33892256
Goshonoside F4,1TMS,isomer #5C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4934.4Semi standard non polar33892256
Goshonoside F4,1TMS,isomer #6C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4952.8Semi standard non polar33892256
Goshonoside F4,1TMS,isomer #7C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4914.1Semi standard non polar33892256
Goshonoside F4,1TMS,isomer #8C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4936.8Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4845.6Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #10C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4841.0Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #11C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4847.6Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #12C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4800.8Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #13C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4824.7Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #14C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4828.3Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #15C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4789.3Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #16C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4796.4Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #17C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4755.8Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #18C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4777.2Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #19C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4804.3Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #2C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4806.5Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #20C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4812.9Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #21C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4770.4Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #22C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4791.0Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #23C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4846.7Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #24C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4810.5Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #25C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4838.5Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #26C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4822.4Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #27C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4825.8Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #28C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4844.7Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #3C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4826.0Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #4C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4841.2Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #5C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4840.5Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #6C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4793.3Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #7C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4816.2Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #8C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4817.6Semi standard non polar33892256
Goshonoside F4,2TMS,isomer #9C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4811.3Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4712.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #10C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4642.9Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #11C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4667.0Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #12C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4721.0Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #13C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4725.2Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #14C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4670.2Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #15C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4699.7Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #16C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4745.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #17C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4686.0Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #18C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4732.5Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #19C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4695.3Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #2C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4723.2Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #20C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4706.5Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #21C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4710.0Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #22C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4730.6Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #23C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4693.2Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #24C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4705.6Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #25C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4657.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #26C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4686.5Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #27C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4696.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #28C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4706.8Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #29C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4658.9Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #3C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4744.8Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #30C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4686.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #31C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4747.3Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #32C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4693.9Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #33C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4735.5Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #34C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4709.6Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #35C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4719.2Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #36C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4724.5Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #37C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4701.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #38C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4712.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #39C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4663.0Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #4C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4747.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #40C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4694.1Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #41C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4685.5Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #42C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4643.0Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #43C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4676.7Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #44C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4656.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #45C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4666.1Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #46C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4669.7Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #47C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4712.7Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #48C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4662.2Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #49C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4701.1Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #5C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4688.6Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #50C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4678.8Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #51C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4687.6Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #52C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4694.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #53C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4715.9Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #54C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4734.5Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #55C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4736.3Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #56C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4747.0Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #6C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4720.7Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #7C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O4725.4Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #8C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4684.2Semi standard non polar33892256
Goshonoside F4,3TMS,isomer #9C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4691.6Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5138.7Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #2C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5181.8Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #3C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5140.3Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #4C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5157.5Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #5C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5138.7Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #6C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5181.5Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #7C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5142.9Semi standard non polar33892256
Goshonoside F4,1TBDMS,isomer #8C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5167.9Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5279.2Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #10C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5274.5Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #11C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5309.7Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #12C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5267.6Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #13C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5287.4Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #14C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5291.5Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #15C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5223.9Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #16C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5263.1Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #17C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5222.6Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #18C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5238.6Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #19C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5237.7Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #2C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5241.6Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #20C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5276.5Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #21C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5232.4Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #22C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5249.8Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #23C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5278.2Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #24C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5244.3Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #25C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5271.1Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #26C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5282.9Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #27C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5290.6Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #28C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5303.6Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #3C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5259.7Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #4C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5234.3Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #5C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5273.7Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #6C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5227.1Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #7C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5247.5Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #8C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5279.3Semi standard non polar33892256
Goshonoside F4,2TBDMS,isomer #9C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CC/C(C)=C\COC1OC(CO)C(O)C(O)C1O5279.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (Non-derivatized) - 70eV, Positivesplash10-03xr-4413397000-ed3dc9229c400d8ced2a2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F4 GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 10V, Positive-QTOFsplash10-0il0-0020907000-8de1364bd5fae701611f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 20V, Positive-QTOFsplash10-0w29-0253901000-36bfab7adc1123f6c78f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 40V, Positive-QTOFsplash10-0w2j-5387964000-5965ae4e1d9f508e04f62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 10V, Negative-QTOFsplash10-004i-1301539000-54dcbee71c66194594282016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 20V, Negative-QTOFsplash10-03fr-3900343000-3929865714f280277c782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 40V, Negative-QTOFsplash10-004l-9803230000-c5a2b01e42e5565667bd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 10V, Positive-QTOFsplash10-0f89-0021903000-54b64c04517c9814aa162021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 20V, Positive-QTOFsplash10-0zgi-3537953000-e9d0f15a60d94e1630cc2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 40V, Positive-QTOFsplash10-0r10-9042830000-6ed7ccb3936ab87b1deb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 10V, Negative-QTOFsplash10-004i-0100029000-e6b0545564fd7d9c6cb82021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 20V, Negative-QTOFsplash10-0aor-9200342000-b3d70fc753567b029a572021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F4 40V, Negative-QTOFsplash10-052f-9200010000-81b77116f2176475804d2021-09-23Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017720
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752350
PDB IDNot Available
ChEBI ID169901
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1867821
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.