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Showing metabocard for (20R)-Ginsenoside Rh2 (HMDB0039544)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:01:57 UTC
Update Date2022-03-07 02:56:15 UTC
HMDB IDHMDB0039544
Secondary Accession Numbers
  • HMDB39544
Metabolite Identification
Common Name(20R)-Ginsenoside Rh2
Description(20R)-Ginsenoside Rh2, also known as ginsenoside RH2, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units (20R)-Ginsenoside Rh2 is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563863394
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039544 ((20R)-Ginsenoside Rh2)


  Mrv0541 02241214342D          

 44 48  0  0  0  0            999 V2000
    3.5365    2.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4909    0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662   -2.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229   -1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389   -0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9388   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -0.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388    0.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    2.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6336   -3.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -1.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3258   -3.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  2  0  0  0  0
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  3  4  1  0  0  0  0
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  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
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 38 41  1  0  0  0  0
 39 40  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039544 ((20R)-Ginsenoside Rh2)

HMDB0039544
     RDKit          3D
(20R)-Ginsenoside Rh2
106110  0  0  0  0  0  0  0  0999 V2000
   -8.7663    1.1333   -1.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3471    1.5542   -1.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3498    1.1431   -2.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1111    2.2403   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7573    2.7346    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5685    2.2837    1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5319    0.8222    1.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4162    0.5895    3.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7904    0.3303    1.4317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5369    0.1074    0.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6419   -0.2042    1.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
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 41100  1  0
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 44104  1  0
 44105  1  0
 44106  1  0
M  END
Download

3D SDF for HMDB0039544 ((20R)-Ginsenoside Rh2)


  Mrv0541 02241214342D          

 44 48  0  0  0  0            999 V2000
    3.5365    2.5685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3233    1.7710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9064    1.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6933    0.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4909    0.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0662   -2.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4582   -1.6583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9229   -1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4389   -0.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -0.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -0.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -0.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388    0.5885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9388   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2251   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -1.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    0.6050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1560    2.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9534    3.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1667    3.9490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9186   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6336   -3.1240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3472   -1.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0623   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0623   -0.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7773   -0.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0623   -3.9490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.7773   -2.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7773   -1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4909   -1.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2048   -3.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258   -3.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
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 21 27  1  0  0  0  0
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 34 35  1  0  0  0  0
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 38 41  1  0  0  0  0
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 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039544

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C

> <INCHI_IDENTIFIER>
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3

> <INCHI_KEY>
CKUVNOCSBYYHIS-UHFFFAOYSA-N

> <FORMULA>
C36H62O8

> <MOLECULAR_WEIGHT>
622.8727

> <EXACT_MASS>
622.44446896

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
73.20116781784702

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
3.77

> <JCHEM_LOGP>
3.7611021593333316

> <ALOGPS_LOGS>
-4.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.182298493043142

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.208474411414986

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8388984516715547

> <JCHEM_POLAR_SURFACE_AREA>
139.84

> <JCHEM_REFRACTIVITY>
169.64920000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.22e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039544 ((20R)-Ginsenoside Rh2)

HMDB0039544
     RDKit          3D
(20R)-Ginsenoside Rh2
106110  0  0  0  0  0  0  0  0999 V2000
   -8.7663    1.1333   -1.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3471    1.5542   -1.3882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3498    1.1431   -2.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1111    2.2403   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7573    2.7346    0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5685    2.2837    1.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5319    0.8222    1.7998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4162    0.5895    3.2835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7904    0.3303    1.4317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5369    0.1074    0.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4797   -1.3747    1.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1399   -1.7908    0.6233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -0.5407   -0.0743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3511   -0.4728   -1.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212    0.5293    0.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210    0.3799    2.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6597    1.4377    3.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8437    0.3628    2.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360   -0.1011    0.7703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9512   -1.0398    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6234   -2.2212    1.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207   -0.1832    1.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110   -0.7809    1.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169   -0.8258    0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1621   -0.9547    0.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    0.0994   -0.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4212   -0.2015   -1.4446 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1686    0.7866   -2.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7957    0.3801   -3.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5565    1.4278   -3.8598 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923    1.3851   -1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8567    2.4538   -1.6490 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4933    1.8883    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7127    3.0077   -0.0804 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7056    0.7474    0.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6419   -0.2042    1.2171 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9737   -1.8297   -0.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857   -1.7676   -1.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2010   -3.2232    0.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5607   -1.3488   -0.2917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6176   -2.1897   -1.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8157   -1.9884   -0.7462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1440   -0.5455   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8938    0.3004   -1.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8029    0.4036   -2.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4157    1.9952   -1.9033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1611    0.5612   -0.8007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545    0.0934   -2.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0030    0.8256    1.4348 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5796   -0.1065    2.9157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9085   -0.1108    2.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0077    0.8677   -0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4638    1.6354   -2.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4143   -0.5144   -3.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9787    0.1986   -4.0590 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8123    2.5267   -1.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2681    2.1572    0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1564    1.1003    1.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6802   -0.6953   -1.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5063   -2.2454   -1.6667 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8312   -2.2707   -2.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792   -3.9483   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0584   -3.4171    1.2667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2985   -3.4314    0.0127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6401   -0.3575   -0.8342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8247   -1.9996   -2.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140   -3.2978   -0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2306   -2.7252   -0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3796   -2.2030   -1.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655    0.9060   -1.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1413    1.1117   -1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -0.2872   -2.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 24 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 15 10  1  0
 43 19  1  0
 43 13  1  0
 40 20  1  0
 35 26  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
  3 49  1  0
  3 50  1  0
  4 51  1  0
  5 52  1  0
  5 53  1  0
  6 54  1  0
  6 55  1  0
  8 56  1  0
  8 57  1  0
  8 58  1  0
  9 59  1  0
 10 60  1  0
 11 61  1  0
 11 62  1  0
 12 63  1  0
 12 64  1  0
 14 65  1  0
 14 66  1  0
 14 67  1  0
 15 68  1  0
 16 69  1  0
 17 70  1  0
 18 71  1  0
 18 72  1  0
 19 73  1  0
 21 74  1  0
 21 75  1  0
 21 76  1  0
 22 77  1  0
 22 78  1  0
 23 79  1  0
 23 80  1  0
 24 81  1  0
 26 82  1  0
 28 83  1  0
 29 84  1  0
 29 85  1  0
 30 86  1  0
 31 87  1  0
 32 88  1  0
 33 89  1  0
 34 90  1  0
 35 91  1  0
 36 92  1  0
 38 93  1  0
 38 94  1  0
 38 95  1  0
 39 96  1  0
 39 97  1  0
 39 98  1  0
 40 99  1  0
 41100  1  0
 41101  1  0
 42102  1  0
 42103  1  0
 44104  1  0
 44105  1  0
 44106  1  0
M  END
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PDB for HMDB0039544 ((20R)-Ginsenoside Rh2)

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       6.601   4.795   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.203   3.306   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.292   2.218   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.894   0.732   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.383   0.331   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.724  -4.086   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.954  -2.752   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.455  -3.095   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.323  -1.982   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.419  -0.734   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.820  -1.217   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.619  -0.441   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.287  -1.212   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.287  -2.752   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.619  -3.521   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.954  -4.291   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       3.619   1.099   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       3.619  -5.061   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.287  -5.831   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.952  -5.061   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.952  -3.521   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.952  -1.982   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.405   1.129   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.025   5.485   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.513   5.883   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.911   7.371   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -0.382  -2.752   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.715  -3.521   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.715  -5.061   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -3.049  -5.831   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.381  -5.061   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -4.381  -3.521   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -5.716  -2.752   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.716  -1.212   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -7.051  -0.441   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -5.716  -7.371   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -5.716  -5.831   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -7.051  -5.061   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -7.051  -3.521   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -8.383  -2.752   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -8.383  -5.831   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -1.371  -7.010   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.382  -5.831   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       0.608  -7.010   0.000  0.00  0.00           C+0
CONECT    1    2   25                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   10   23                                             
CONECT    5    4                                                            
CONECT    6    7                                                            
CONECT    7    6    8   11   15                                             
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    4    9   11                                                  
CONECT   11    7   10   12                                                  
CONECT   12   11   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   21                                                  
CONECT   15    7   14   16   18                                             
CONECT   16   15                                                            
CONECT   17   12                                                            
CONECT   18   15   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   43                                                  
CONECT   21   14   20   22   27                                             
CONECT   22   21                                                            
CONECT   23    4                                                            
CONECT   24   25                                                            
CONECT   25    1   24   26                                                  
CONECT   26   25                                                            
CONECT   27   21   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   43                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34                                                            
CONECT   36   37                                                            
CONECT   37   31   36   38                                                  
CONECT   38   37   39   41                                                  
CONECT   39   33   38   40                                                  
CONECT   40   39                                                            
CONECT   41   38                                                            
CONECT   42   43                                                            
CONECT   43   20   29   42   44                                             
CONECT   44   43                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END
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3D PDB for HMDB0039544 ((20R)-Ginsenoside Rh2)

COMPND    HMDB0252726
HETATM    1  C1  UNL     1       8.603   0.838   3.311  1.00  0.00           C  
HETATM    2  C2  UNL     1       8.161   0.643   1.910  1.00  0.00           C  
HETATM    3  C3  UNL     1       9.140   0.339   0.842  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.878   0.731   1.572  1.00  0.00           C  
HETATM    5  C5  UNL     1       6.382   0.545   0.183  1.00  0.00           C  
HETATM    6  C6  UNL     1       5.670   1.781  -0.252  1.00  0.00           C  
HETATM    7  C7  UNL     1       5.106   1.721  -1.653  1.00  0.00           C  
HETATM    8  C8  UNL     1       4.467   3.072  -1.886  1.00  0.00           C  
HETATM    9  O1  UNL     1       6.175   1.613  -2.532  1.00  0.00           O  
HETATM   10  C9  UNL     1       4.153   0.575  -1.876  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.700   0.619  -3.313  1.00  0.00           C  
HETATM   12  C11 UNL     1       2.223   0.550  -3.375  1.00  0.00           C  
HETATM   13  C12 UNL     1       1.707   0.524  -1.940  1.00  0.00           C  
HETATM   14  C13 UNL     1       0.853   1.794  -1.809  1.00  0.00           C  
HETATM   15  C14 UNL     1       2.911   0.608  -1.048  1.00  0.00           C  
HETATM   16  C15 UNL     1       2.872  -0.292   0.127  1.00  0.00           C  
HETATM   17  O2  UNL     1       3.320  -1.582  -0.076  1.00  0.00           O  
HETATM   18  C16 UNL     1       1.423  -0.283   0.645  1.00  0.00           C  
HETATM   19  C17 UNL     1       0.587  -1.111  -0.355  1.00  0.00           C  
HETATM   20  C18 UNL     1      -0.797  -1.354   0.107  1.00  0.00           C  
HETATM   21  C19 UNL     1      -0.954  -2.874   0.332  1.00  0.00           C  
HETATM   22  C20 UNL     1      -1.122  -0.752   1.453  1.00  0.00           C  
HETATM   23  C21 UNL     1      -2.373   0.130   1.429  1.00  0.00           C  
HETATM   24  C22 UNL     1      -3.504  -0.687   0.967  1.00  0.00           C  
HETATM   25  O3  UNL     1      -4.768  -0.176   1.165  1.00  0.00           O  
HETATM   26  C23 UNL     1      -5.561  -0.868   2.041  1.00  0.00           C  
HETATM   27  O4  UNL     1      -5.883   0.004   3.083  1.00  0.00           O  
HETATM   28  C24 UNL     1      -6.461   1.127   2.483  1.00  0.00           C  
HETATM   29  C25 UNL     1      -6.262   2.350   3.327  1.00  0.00           C  
HETATM   30  O5  UNL     1      -6.851   2.169   4.584  1.00  0.00           O  
HETATM   31  C26 UNL     1      -7.915   0.804   2.254  1.00  0.00           C  
HETATM   32  O6  UNL     1      -8.611   1.210   3.405  1.00  0.00           O  
HETATM   33  C27 UNL     1      -8.074  -0.688   2.077  1.00  0.00           C  
HETATM   34  O7  UNL     1      -8.437  -1.307   3.288  1.00  0.00           O  
HETATM   35  C28 UNL     1      -6.874  -1.351   1.455  1.00  0.00           C  
HETATM   36  O8  UNL     1      -6.954  -1.203   0.083  1.00  0.00           O  
HETATM   37  C29 UNL     1      -3.276  -1.176  -0.444  1.00  0.00           C  
HETATM   38  C30 UNL     1      -4.127  -0.295  -1.343  1.00  0.00           C  
HETATM   39  C31 UNL     1      -3.759  -2.585  -0.649  1.00  0.00           C  
HETATM   40  C32 UNL     1      -1.865  -0.918  -0.831  1.00  0.00           C  
HETATM   41  C33 UNL     1      -1.526  -1.353  -2.224  1.00  0.00           C  
HETATM   42  C34 UNL     1      -0.352  -0.484  -2.623  1.00  0.00           C  
HETATM   43  C35 UNL     1       0.865  -0.732  -1.766  1.00  0.00           C  
HETATM   44  C36 UNL     1       1.625  -1.840  -2.523  1.00  0.00           C  
HETATM   45  H1  UNL     1       9.455   1.555   3.352  1.00  0.00           H  
HETATM   46  H2  UNL     1       8.923  -0.119   3.771  1.00  0.00           H  
HETATM   47  H3  UNL     1       7.775   1.239   3.909  1.00  0.00           H  
HETATM   48  H4  UNL     1       9.101   1.193   0.109  1.00  0.00           H  
HETATM   49  H5  UNL     1       8.867  -0.590   0.298  1.00  0.00           H  
HETATM   50  H6  UNL     1      10.178   0.230   1.251  1.00  0.00           H  
HETATM   51  H7  UNL     1       6.155   0.948   2.349  1.00  0.00           H  
HETATM   52  H8  UNL     1       7.280   0.421  -0.474  1.00  0.00           H  
HETATM   53  H9  UNL     1       5.717  -0.314   0.153  1.00  0.00           H  
HETATM   54  H10 UNL     1       6.399   2.625  -0.249  1.00  0.00           H  
HETATM   55  H11 UNL     1       4.841   2.008   0.469  1.00  0.00           H  
HETATM   56  H12 UNL     1       5.334   3.796  -1.738  1.00  0.00           H  
HETATM   57  H13 UNL     1       4.137   3.268  -2.902  1.00  0.00           H  
HETATM   58  H14 UNL     1       3.765   3.383  -1.087  1.00  0.00           H  
HETATM   59  H15 UNL     1       6.018   0.956  -3.246  1.00  0.00           H  
HETATM   60  H16 UNL     1       4.712  -0.350  -1.629  1.00  0.00           H  
HETATM   61  H17 UNL     1       4.191  -0.242  -3.871  1.00  0.00           H  
HETATM   62  H18 UNL     1       4.117   1.508  -3.827  1.00  0.00           H  
HETATM   63  H19 UNL     1       1.813  -0.278  -3.990  1.00  0.00           H  
HETATM   64  H20 UNL     1       1.873   1.467  -3.934  1.00  0.00           H  
HETATM   65  H21 UNL     1       0.027   1.708  -1.120  1.00  0.00           H  
HETATM   66  H22 UNL     1       1.530   2.590  -1.410  1.00  0.00           H  
HETATM   67  H23 UNL     1       0.543   2.181  -2.815  1.00  0.00           H  
HETATM   68  H24 UNL     1       2.888   1.648  -0.591  1.00  0.00           H  
HETATM   69  H25 UNL     1       3.466   0.115   0.979  1.00  0.00           H  
HETATM   70  H26 UNL     1       3.307  -2.106   0.763  1.00  0.00           H  
HETATM   71  H27 UNL     1       1.521  -0.840   1.620  1.00  0.00           H  
HETATM   72  H28 UNL     1       1.134   0.745   0.726  1.00  0.00           H  
HETATM   73  H29 UNL     1       1.172  -2.088  -0.215  1.00  0.00           H  
HETATM   74  H30 UNL     1      -0.074  -3.115   1.008  1.00  0.00           H  
HETATM   75  H31 UNL     1      -1.824  -3.142   0.909  1.00  0.00           H  
HETATM   76  H32 UNL     1      -0.747  -3.438  -0.581  1.00  0.00           H  
HETATM   77  H33 UNL     1      -0.340  -0.086   1.850  1.00  0.00           H  
HETATM   78  H34 UNL     1      -1.321  -1.491   2.256  1.00  0.00           H  
HETATM   79  H35 UNL     1      -2.134   1.060   0.950  1.00  0.00           H  
HETATM   80  H36 UNL     1      -2.555   0.373   2.519  1.00  0.00           H  
HETATM   81  H37 UNL     1      -3.488  -1.616   1.608  1.00  0.00           H  
HETATM   82  H38 UNL     1      -5.093  -1.746   2.507  1.00  0.00           H  
HETATM   83  H39 UNL     1      -5.998   1.306   1.482  1.00  0.00           H  
HETATM   84  H40 UNL     1      -5.155   2.469   3.511  1.00  0.00           H  
HETATM   85  H41 UNL     1      -6.582   3.278   2.841  1.00  0.00           H  
HETATM   86  H42 UNL     1      -6.948   3.026   5.074  1.00  0.00           H  
HETATM   87  H43 UNL     1      -8.341   1.322   1.387  1.00  0.00           H  
HETATM   88  H44 UNL     1      -9.258   1.925   3.175  1.00  0.00           H  
HETATM   89  H45 UNL     1      -8.930  -0.858   1.384  1.00  0.00           H  
HETATM   90  H46 UNL     1      -8.035  -2.214   3.376  1.00  0.00           H  
HETATM   91  H47 UNL     1      -7.027  -2.458   1.635  1.00  0.00           H  
HETATM   92  H48 UNL     1      -6.831  -2.049  -0.409  1.00  0.00           H  
HETATM   93  H49 UNL     1      -4.860  -0.904  -1.956  1.00  0.00           H  
HETATM   94  H50 UNL     1      -3.520   0.354  -2.012  1.00  0.00           H  
HETATM   95  H51 UNL     1      -4.788   0.305  -0.690  1.00  0.00           H  
HETATM   96  H52 UNL     1      -4.140  -2.948   0.345  1.00  0.00           H  
HETATM   97  H53 UNL     1      -4.684  -2.636  -1.303  1.00  0.00           H  
HETATM   98  H54 UNL     1      -3.060  -3.259  -1.139  1.00  0.00           H  
HETATM   99  H55 UNL     1      -1.814   0.217  -0.860  1.00  0.00           H  
HETATM  100  H56 UNL     1      -2.347  -1.102  -2.931  1.00  0.00           H  
HETATM  101  H57 UNL     1      -1.326  -2.419  -2.335  1.00  0.00           H  
HETATM  102  H58 UNL     1      -0.158  -0.719  -3.698  1.00  0.00           H  
HETATM  103  H59 UNL     1      -0.712   0.562  -2.607  1.00  0.00           H  
HETATM  104  H60 UNL     1       1.517  -2.750  -1.855  1.00  0.00           H  
HETATM  105  H61 UNL     1       1.156  -2.128  -3.465  1.00  0.00           H  
HETATM  106  H62 UNL     1       2.662  -1.609  -2.714  1.00  0.00           H  
CONECT    1    2   45   46   47
CONECT    2    3    4    4
CONECT    3   48   49   50
CONECT    4    5   51
CONECT    5    6   52   53
CONECT    6    7   54   55
CONECT    7    8    9   10
CONECT    8   56   57   58
CONECT    9   59
CONECT   10   11   15   60
CONECT   11   12   61   62
CONECT   12   13   63   64
CONECT   13   14   15   43
CONECT   14   65   66   67
CONECT   15   16   68
CONECT   16   17   18   69
CONECT   17   70
CONECT   18   19   71   72
CONECT   19   20   43   73
CONECT   20   21   22   40
CONECT   21   74   75   76
CONECT   22   23   77   78
CONECT   23   24   79   80
CONECT   24   25   37   81
CONECT   25   26
CONECT   26   27   35   82
CONECT   27   28
CONECT   28   29   31   83
CONECT   29   30   84   85
CONECT   30   86
CONECT   31   32   33   87
CONECT   32   88
CONECT   33   34   35   89
CONECT   34   90
CONECT   35   36   91
CONECT   36   92
CONECT   37   38   39   40
CONECT   38   93   94   95
CONECT   39   96   97   98
CONECT   40   41   99
CONECT   41   42  100  101
CONECT   42   43  102  103
CONECT   43   44
CONECT   44  104  105  106
END
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SMILES for HMDB0039544 ((20R)-Ginsenoside Rh2)

CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C
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INCHI for HMDB0039544 ((20R)-Ginsenoside Rh2)

InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Ginsenoside RH2HMDB
Chemical FormulaC36H62O8
Average Molecular Weight622.8727
Monoisotopic Molecular Weight622.44446896
IUPAC Name2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name2-{[16-hydroxy-14-(2-hydroxy-6-methylhept-5-en-2-yl)-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-5-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number78214-33-2
SMILES
CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C
InChI Identifier
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3
InChI KeyCKUVNOCSBYYHIS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTriterpenoids
Direct ParentTriterpenoids
Alternative Parents
Substituents
  • Triterpenoid
  • Steroidal glycoside
  • 20-hydroxysteroid
  • 12-hydroxysteroid
  • Hydroxysteroid
  • Steroid
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Monosaccharide
  • Oxane
  • Tertiary alcohol
  • Cyclic alcohol
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.012 g/LALOGPS
logP3.77ALOGPS
logP3.76ChemAxon
logS-4.7ALOGPS
pKa (Strongest Acidic)12.21ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area139.84 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity169.65 m³·mol⁻¹ChemAxon
Polarizability73.2 ųChemAxon
Number of Rings5ChemAxon
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]+238.43331661259
DarkChem[M-H]-232.12131661259
DeepCCS[M-2H]-273.8430932474
DeepCCS[M+Na]+249.26330932474
AllCCS[M+H]+248.832859911
AllCCS[M+H-H2O]+248.032859911
AllCCS[M+NH4]+249.532859911
AllCCS[M+Na]+249.732859911
AllCCS[M-H]-225.632859911
AllCCS[M+Na-2H]-230.332859911
AllCCS[M+HCOO]-235.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(20R)-Ginsenoside Rh2CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C3054.1Standard polar33892256
(20R)-Ginsenoside Rh2CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C4170.8Standard non polar33892256
(20R)-Ginsenoside Rh2CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21C4851.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(20R)-Ginsenoside Rh2,1TMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4828.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4538.1Standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #2CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4803.1Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #2CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4446.9Standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #3CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4888.1Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #3CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4558.4Standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #4CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4889.0Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #4CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4509.3Standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #5CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4875.4Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #5CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4503.0Standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4862.9Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4514.4Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4709.3Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4495.8Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #10CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4816.5Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #10CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4573.0Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #11CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4800.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #11CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4588.0Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #12CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4796.1Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #12CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4572.2Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #13CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4797.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #13CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4539.8Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #14CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4789.8Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #14CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4566.4Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #15CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4801.8Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #15CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4524.0Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #2CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4755.8Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #2CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4594.0Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #3CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4747.5Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #3CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4554.8Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #4CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4718.8Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #4CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4554.6Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #5CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4718.0Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #5CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4563.8Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4706.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4507.5Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #7CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4695.1Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #7CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4469.3Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #8CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4658.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #8CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4470.8Standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #9CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4663.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TMS,isomer #9CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4478.0Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4616.9Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4542.9Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #10CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4644.8Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #10CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4560.8Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #11CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4603.0Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #11CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4524.0Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #12CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4567.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #12CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4538.4Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #13CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4579.4Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #13CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4530.0Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #14CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4561.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #14CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4492.8Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #15CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4559.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #15CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4516.9Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #16CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4565.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #16CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4484.9Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #17CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4736.8Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #17CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4589.9Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #18CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4707.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #18CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4620.3Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #19CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4728.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #19CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4584.3Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #2CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4596.3Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #2CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4510.7Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #20CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4730.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #20CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4540.0Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #3CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4565.9Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #3CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4519.3Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #4CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4563.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #4CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4527.1Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #5CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4672.3Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #5CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4601.3Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #6CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4650.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #6CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4616.5Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #7CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4643.9Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #7CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4605.0Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #8CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4638.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #8CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(C)(C)C3CCC12C4570.5Standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #9CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4629.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,3TMS,isomer #9CC(C)=CCCC(C)(O[Si](C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(C)(C)C3CCC12C4596.9Standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C5051.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4805.8Standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #2CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C5025.6Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #2CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4714.5Standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #3CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C5084.4Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #3CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4821.9Standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #4CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C5122.5Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #4CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4765.4Standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #5CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C5102.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #5CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C4757.3Standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5097.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,1TBDMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C4767.9Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C5136.9Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #1CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC12C4959.4Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #10CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C5254.7Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #10CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C5035.3Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #11CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C5227.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #11CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C5046.2Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #12CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5235.4Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #12CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5035.7Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #13CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C5261.1Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #13CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C4996.0Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #14CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5254.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #14CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5018.4Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #15CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5265.1Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #15CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C4980.1Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #2CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C5177.5Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #2CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C5061.9Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #3CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C5192.3Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #3CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C5007.1Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #4CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C5160.1Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #4CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C5002.6Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #5CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5164.5Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #5CC(C)=CCCC(C)(O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5019.5Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C5119.9Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #6CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(C)(C)C3CCC12C4980.8Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #7CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C5145.0Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #7CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(C)(C)C3CCC12C4930.8Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #8CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C5102.2Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #8CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(C)(C)C3CCC12C4928.2Standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #9CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C5113.0Semi standard non polar33892256
(20R)-Ginsenoside Rh2,2TBDMS,isomer #9CC(C)=CCCC(C)(O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(C)(C)C3CCC12C4942.8Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (20R)-Ginsenoside Rh2 GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4l-6611479000-d65beba914679bda47302017-09-01Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 10V, Positive-QTOFsplash10-06rf-0000935000-72e79458b189eee0befe2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 20V, Positive-QTOFsplash10-0006-1101900000-5766366e4d9a892f488d2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 40V, Positive-QTOFsplash10-0296-3223900000-9c43c30f74a5dc7a192e2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 10V, Negative-QTOFsplash10-00dl-1100829000-fcc0f11fc191610bb5d62015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 20V, Negative-QTOFsplash10-052f-1100901000-fc81da55658166ad081a2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 40V, Negative-QTOFsplash10-052f-3002900000-d35f2e9734fcbb871f352015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 10V, Negative-QTOFsplash10-00di-0000009000-2e1102fd6ff7161b17862021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 20V, Negative-QTOFsplash10-00di-4000339000-29459647dfbbd85a0a3d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 40V, Negative-QTOFsplash10-0a4i-9000121000-048ed11e4b13f460d3f32021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 10V, Positive-QTOFsplash10-05du-0102935000-14966d53e5413a3b69da2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 20V, Positive-QTOFsplash10-03kc-6906342000-692461ca603e830e059e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (20R)-Ginsenoside Rh2 40V, Positive-QTOFsplash10-014i-9200000000-88ee720056493df588b02021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • 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 IDFDB019163
KNApSAcK IDNot Available
Chemspider ID24784756
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14081290
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
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.