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Showing metabocard for Ginsenoside Rh8 (HMDB0039943)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 01:29:20 UTC
Update Date2022-03-07 02:56:24 UTC
HMDB IDHMDB0039943
Secondary Accession Numbers
  • HMDB39943
Metabolite Identification
Common NameGinsenoside Rh8
DescriptionGinsenoside Rh8 belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ginsenoside Rh8 is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563863465
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039943 (Ginsenoside Rh8)


  Mrv0541 05061311312D          

 45 49  0  0  0  0            999 V2000
   -1.5496    5.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489    6.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2594    0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700    1.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2233    4.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045    4.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    1.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0601    3.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1949    1.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
 13  9  1  0  0  0  0
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 45 31  1  0  0  0  0
 45 36  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039943 (Ginsenoside Rh8)

HMDB0039943
     RDKit          3D
Ginsenoside Rh8
105109  0  0  0  0  0  0  0  0999 V2000
   -5.1674   -5.6150   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.9596   -4.4561    1.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2102   -3.1868   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6901   -1.1138    1.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2780    0.9260   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 79  1  0
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 42100  1  0
 43101  1  0
 43102  1  0
 45103  1  0
 45104  1  0
 45105  1  0
M  END
Download

3D SDF for HMDB0039943 (Ginsenoside Rh8)


  Mrv0541 05061311312D          

 45 49  0  0  0  0            999 V2000
   -1.5496    5.8741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489    6.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7489   -0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6882   -0.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4761    1.7659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2594    0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700    1.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151    3.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2233    4.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045    4.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    1.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9136    0.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0601    3.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1949    1.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5552    1.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7574    2.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0644    0.1012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052    3.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7676    5.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5413    2.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    2.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7831   -0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5232    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7659    1.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3285    2.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    4.5587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5782    4.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9594    4.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4933    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2120   -0.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4847    0.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0558    0.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2783    3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9239    4.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0301    3.4010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7917   -1.1288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6408   -0.2741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9789    5.1043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150    5.6305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774    4.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    3.2044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5037    2.9217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 13  9  1  0  0  0  0
 14 12  1  0  0  0  0
 15 11  1  0  0  0  0
 19  1  1  0  0  0  0
 19  2  1  0  0  0  0
 19 10  2  0  0  0  0
 20 11  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
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 26 21  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 22  1  0  0  0  0
 31 29  1  0  0  0  0
 32  3  1  0  0  0  0
 32  4  1  0  0  0  0
 32 25  1  0  0  0  0
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 33  5  1  0  0  0  0
 33 14  1  0  0  0  0
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 34  6  1  0  0  0  0
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 35 34  1  0  0  0  0
 36  8  1  0  0  0  0
 36 13  1  0  0  0  0
 36 20  1  0  0  0  0
 37 18  1  0  0  0  0
 38 21  2  0  0  0  0
 39 22  1  0  0  0  0
 40 25  1  0  0  0  0
 41 27  1  0  0  0  0
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 44 23  1  0  0  0  0
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 45 36  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039943

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C

> <INCHI_IDENTIFIER>
InChI=1S/C36H60O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20,22-31,37,39-43H,9,11-18H2,1-8H3

> <INCHI_KEY>
VGJOYFZLAIERID-UHFFFAOYSA-N

> <FORMULA>
C36H60O9

> <MOLECULAR_WEIGHT>
636.8562

> <EXACT_MASS>
636.423733518

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
72.4134600098562

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,8-dihydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-16-one

> <ALOGPS_LOGP>
2.91

> <JCHEM_LOGP>
2.837851615999997

> <ALOGPS_LOGS>
-4.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.180396260160911

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.207880338654553

> <JCHEM_PKA_STRONGEST_BASIC>
-2.8454547947885738

> <JCHEM_POLAR_SURFACE_AREA>
156.91

> <JCHEM_REFRACTIVITY>
170.31650000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.36e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,8-dihydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-16-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039943 (Ginsenoside Rh8)

HMDB0039943
     RDKit          3D
Ginsenoside Rh8
105109  0  0  0  0  0  0  0  0999 V2000
   -5.1674   -5.6150   -0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7743   -4.3686    0.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9596   -4.4561    1.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2102   -3.1868   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0553   -3.1140   -0.9532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7424   -2.6336   -0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7247   -1.2354    0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6901   -1.1138    1.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0329   -0.3724   -0.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2780    0.9260   -0.6325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3738    1.7970   -1.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4838    3.1003   -0.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7701    3.9471   -1.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4420    3.5720   -1.9872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8567    3.6573   -0.7114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8241    4.6209    0.3227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9325    2.6654   -0.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7917    2.3927    1.0146 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6426    1.4161   -1.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6186    0.4705   -1.1533 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0449   -1.7253    1.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4161   -1.2632    2.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9761   -1.5292    0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1522   -3.0438    0.6876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1847   -1.1963   -0.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035   -0.0173   -0.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264    0.0369   -2.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9771    1.1200   -0.4178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0876    0.6673    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3361    1.4880    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8018    2.8662   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9837    1.7809    1.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461    1.8839    1.6630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2208    1.1661    0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5515    1.5762    0.7055 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308    1.4730   -0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5065    0.6869   -1.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2120    0.9930   -0.7912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2504   -0.4781   -1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5883   -0.7555   -2.3528 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8969   -1.1759   -0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2536   -0.8109    0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1699   -1.3294    1.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6433   -6.5016    0.1860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0884   -5.6994   -0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2947   -5.6671   -1.3801 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.7191   -2.3307    0.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4808    1.7587   -2.2172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1960    0.5744   -1.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8555   -3.4219   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -3.4375    1.7197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3154   -2.0506   -0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4347    1.6408   -1.2782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2199    1.7649    0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404    0.9296    1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9390    3.0010   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7858    3.0457    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4131    3.6964    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    1.0407    2.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5883    2.7458    2.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7865    2.9630    1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8050    1.5177    2.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030    0.0958    0.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574    2.5013    1.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7318    3.6258   -0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8893    3.0567   -1.4770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6700   -0.3404   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2168    0.8589   -2.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5183    1.1887   -1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210    1.4063   -1.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0118   -1.0194   -0.4198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4337   -1.7110   -2.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3407   -0.9830   -1.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1982   -2.2644   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1362   -2.4540    1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7368   -1.1698    2.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2113   -1.0650    1.4414 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
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  7 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 44 45  1  0
 19 10  1  0
 26 21  1  0
 44 30  1  0
 44 24  1  0
 40 31  1  0
  1 46  1  0
  1 47  1  0
  1 48  1  0
  3 49  1  0
  3 50  1  0
  3 51  1  0
  4 52  1  0
  5 53  1  0
  5 54  1  0
  6 55  1  0
  6 56  1  0
  8 57  1  0
  8 58  1  0
  8 59  1  0
 10 60  1  0
 12 61  1  0
 13 62  1  0
 13 63  1  0
 14 64  1  0
 15 65  1  0
 16 66  1  0
 17 67  1  0
 18 68  1  0
 19 69  1  0
 20 70  1  0
 21 71  1  0
 22 72  1  0
 22 73  1  0
 23 74  1  0
 23 75  1  0
 25 76  1  0
 25 77  1  0
 25 78  1  0
 26 79  1  0
 29 80  1  0
 29 81  1  0
 30 82  1  0
 32 83  1  0
 32 84  1  0
 32 85  1  0
 33 86  1  0
 33 87  1  0
 34 88  1  0
 34 89  1  0
 35 90  1  0
 36 91  1  0
 38 92  1  0
 38 93  1  0
 38 94  1  0
 39 95  1  0
 39 96  1  0
 39 97  1  0
 40 98  1  0
 41 99  1  0
 42100  1  0
 43101  1  0
 43102  1  0
 45103  1  0
 45104  1  0
 45105  1  0
M  END
Download

PDB for HMDB0039943 (Ginsenoside Rh8)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.893  10.965   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.278  11.492   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.865  -1.709   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.885  -1.729   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.489   3.296   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.351   0.952   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.864   3.324   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.028   7.405   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.283   7.946   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.128   8.964   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.118   3.230   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -9.172   1.784   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.979   6.436   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -7.830   2.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.036   1.994   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.147   4.053   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.854   0.189   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.170   6.509   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.433  10.474   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.010   4.486   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.806   4.809   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.195  -0.567   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.710   7.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -5.163   2.513   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -9.188   0.244   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.480   4.025   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.406   8.510   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.946   9.001   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.791   7.982   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.521   0.217   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.095   6.472   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -7.862  -0.539   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -6.505   1.757   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.496   2.485   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -3.837   1.729   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.519   5.945   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       7.325   7.527   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -3.790   6.349   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -5.211  -2.107   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0     -10.529  -0.512   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       5.561   9.528   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       2.641  10.510   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       0.331   8.473   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       3.555   5.982   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       0.940   5.454   0.000  0.00  0.00           O+0
CONECT    1   19                                                            
CONECT    2   19                                                            
CONECT    3   32                                                            
CONECT    4   32                                                            
CONECT    5   33                                                            
CONECT    6   34                                                            
CONECT    7   35                                                            
CONECT    8   36                                                            
CONECT    9   10   13                                                       
CONECT   10    9   19                                                       
CONECT   11   15   20                                                       
CONECT   12   14   25                                                       
CONECT   13    9   36                                                       
CONECT   14   12   33                                                       
CONECT   15   11   34                                                       
CONECT   16   21   24                                                       
CONECT   17   22   35                                                       
CONECT   18   23   37                                                       
CONECT   19    1    2   10                                                  
CONECT   20   11   26   36                                                  
CONECT   21   16   26   38                                                  
CONECT   22   17   30   39                                                  
CONECT   23   18   27   44                                                  
CONECT   24   16   33   35                                                  
CONECT   25   12   32   40                                                  
CONECT   26   20   21   34                                                  
CONECT   27   23   28   41                                                  
CONECT   28   27   29   42                                                  
CONECT   29   28   31   43                                                  
CONECT   30   22   32   33                                                  
CONECT   31   29   44   45                                                  
CONECT   32    3    4   25   30                                             
CONECT   33    5   14   24   30                                             
CONECT   34    6   15   26   35                                             
CONECT   35    7   17   24   34                                             
CONECT   36    8   13   20   45                                             
CONECT   37   18                                                            
CONECT   38   21                                                            
CONECT   39   22                                                            
CONECT   40   25                                                            
CONECT   41   27                                                            
CONECT   42   28                                                            
CONECT   43   29                                                            
CONECT   44   23   31                                                       
CONECT   45   31   36                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END
Download

3D PDB for HMDB0039943 (Ginsenoside Rh8)

COMPND    HMDB0039943
HETATM    1  C1  UNL     1      -5.167  -5.615  -0.279  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.774  -4.369   0.252  1.00  0.00           C  
HETATM    3  C3  UNL     1      -6.960  -4.456   1.131  1.00  0.00           C  
HETATM    4  C4  UNL     1      -5.210  -3.187  -0.095  1.00  0.00           C  
HETATM    5  C5  UNL     1      -4.055  -3.114  -0.953  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.742  -2.634  -0.429  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.725  -1.235   0.080  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.690  -1.114   1.252  1.00  0.00           C  
HETATM    9  O1  UNL     1      -3.033  -0.372  -0.936  1.00  0.00           O  
HETATM   10  C9  UNL     1      -3.278   0.926  -0.633  1.00  0.00           C  
HETATM   11  O2  UNL     1      -2.374   1.797  -1.235  1.00  0.00           O  
HETATM   12  C10 UNL     1      -2.484   3.100  -0.831  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.770   3.947  -1.898  1.00  0.00           C  
HETATM   14  O3  UNL     1      -0.442   3.572  -1.987  1.00  0.00           O  
HETATM   15  C12 UNL     1      -3.857   3.657  -0.711  1.00  0.00           C  
HETATM   16  O4  UNL     1      -3.824   4.621   0.323  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.932   2.665  -0.364  1.00  0.00           C  
HETATM   18  O5  UNL     1      -4.792   2.393   1.015  1.00  0.00           O  
HETATM   19  C14 UNL     1      -4.643   1.416  -1.154  1.00  0.00           C  
HETATM   20  O6  UNL     1      -5.619   0.470  -1.153  1.00  0.00           O  
HETATM   21  C15 UNL     1      -1.374  -0.872   0.672  1.00  0.00           C  
HETATM   22  C16 UNL     1      -1.045  -1.725   1.887  1.00  0.00           C  
HETATM   23  C17 UNL     1       0.416  -1.263   2.081  1.00  0.00           C  
HETATM   24  C18 UNL     1       0.976  -1.529   0.709  1.00  0.00           C  
HETATM   25  C19 UNL     1       1.152  -3.044   0.688  1.00  0.00           C  
HETATM   26  C20 UNL     1      -0.185  -1.196  -0.197  1.00  0.00           C  
HETATM   27  C21 UNL     1       0.203  -0.017  -0.970  1.00  0.00           C  
HETATM   28  O7  UNL     1      -0.126   0.037  -2.141  1.00  0.00           O  
HETATM   29  C22 UNL     1       0.977   1.120  -0.418  1.00  0.00           C  
HETATM   30  C23 UNL     1       2.088   0.667   0.506  1.00  0.00           C  
HETATM   31  C24 UNL     1       3.336   1.488   0.290  1.00  0.00           C  
HETATM   32  C25 UNL     1       2.802   2.866  -0.178  1.00  0.00           C  
HETATM   33  C26 UNL     1       3.984   1.781   1.614  1.00  0.00           C  
HETATM   34  C27 UNL     1       5.446   1.884   1.663  1.00  0.00           C  
HETATM   35  C28 UNL     1       6.221   1.166   0.634  1.00  0.00           C  
HETATM   36  O8  UNL     1       7.551   1.576   0.705  1.00  0.00           O  
HETATM   37  C29 UNL     1       5.631   1.473  -0.720  1.00  0.00           C  
HETATM   38  C30 UNL     1       5.826   2.910  -1.116  1.00  0.00           C  
HETATM   39  C31 UNL     1       6.507   0.687  -1.711  1.00  0.00           C  
HETATM   40  C32 UNL     1       4.212   0.993  -0.791  1.00  0.00           C  
HETATM   41  C33 UNL     1       4.250  -0.478  -1.000  1.00  0.00           C  
HETATM   42  O9  UNL     1       4.588  -0.756  -2.353  1.00  0.00           O  
HETATM   43  C34 UNL     1       2.897  -1.176  -0.835  1.00  0.00           C  
HETATM   44  C35 UNL     1       2.254  -0.811   0.444  1.00  0.00           C  
HETATM   45  C36 UNL     1       3.170  -1.329   1.562  1.00  0.00           C  
HETATM   46  H1  UNL     1      -5.643  -6.502   0.186  1.00  0.00           H  
HETATM   47  H2  UNL     1      -4.088  -5.699  -0.069  1.00  0.00           H  
HETATM   48  H3  UNL     1      -5.295  -5.667  -1.380  1.00  0.00           H  
HETATM   49  H4  UNL     1      -7.511  -5.394   0.858  1.00  0.00           H  
HETATM   50  H5  UNL     1      -6.698  -4.547   2.204  1.00  0.00           H  
HETATM   51  H6  UNL     1      -7.672  -3.630   0.996  1.00  0.00           H  
HETATM   52  H7  UNL     1      -5.719  -2.331   0.295  1.00  0.00           H  
HETATM   53  H8  UNL     1      -3.920  -4.164  -1.397  1.00  0.00           H  
HETATM   54  H9  UNL     1      -4.267  -2.523  -1.908  1.00  0.00           H  
HETATM   55  H10 UNL     1      -2.294  -3.365   0.289  1.00  0.00           H  
HETATM   56  H11 UNL     1      -2.059  -2.680  -1.352  1.00  0.00           H  
HETATM   57  H12 UNL     1      -4.597  -0.564   1.048  1.00  0.00           H  
HETATM   58  H13 UNL     1      -3.850  -2.128   1.649  1.00  0.00           H  
HETATM   59  H14 UNL     1      -3.184  -0.582   2.138  1.00  0.00           H  
HETATM   60  H15 UNL     1      -3.246   1.161   0.452  1.00  0.00           H  
HETATM   61  H16 UNL     1      -1.880   3.258   0.092  1.00  0.00           H  
HETATM   62  H17 UNL     1      -2.247   3.675  -2.873  1.00  0.00           H  
HETATM   63  H18 UNL     1      -1.869   5.025  -1.665  1.00  0.00           H  
HETATM   64  H19 UNL     1       0.108   3.973  -1.263  1.00  0.00           H  
HETATM   65  H20 UNL     1      -4.147   4.224  -1.637  1.00  0.00           H  
HETATM   66  H21 UNL     1      -3.536   5.477  -0.070  1.00  0.00           H  
HETATM   67  H22 UNL     1      -5.903   3.123  -0.591  1.00  0.00           H  
HETATM   68  H23 UNL     1      -5.622   2.042   1.392  1.00  0.00           H  
HETATM   69  H24 UNL     1      -4.481   1.759  -2.217  1.00  0.00           H  
HETATM   70  H25 UNL     1      -6.196   0.574  -1.951  1.00  0.00           H  
HETATM   71  H26 UNL     1      -1.420   0.164   0.999  1.00  0.00           H  
HETATM   72  H27 UNL     1      -1.547  -1.421   2.809  1.00  0.00           H  
HETATM   73  H28 UNL     1      -1.122  -2.786   1.763  1.00  0.00           H  
HETATM   74  H29 UNL     1       0.877  -1.924   2.872  1.00  0.00           H  
HETATM   75  H30 UNL     1       0.327  -0.223   2.374  1.00  0.00           H  
HETATM   76  H31 UNL     1       0.176  -3.553   0.422  1.00  0.00           H  
HETATM   77  H32 UNL     1       1.856  -3.422  -0.039  1.00  0.00           H  
HETATM   78  H33 UNL     1       1.376  -3.438   1.720  1.00  0.00           H  
HETATM   79  H34 UNL     1      -0.315  -2.051  -0.864  1.00  0.00           H  
HETATM   80  H35 UNL     1       1.435   1.641  -1.278  1.00  0.00           H  
HETATM   81  H36 UNL     1       0.220   1.765   0.099  1.00  0.00           H  
HETATM   82  H37 UNL     1       1.740   0.930   1.537  1.00  0.00           H  
HETATM   83  H38 UNL     1       2.939   3.001  -1.261  1.00  0.00           H  
HETATM   84  H39 UNL     1       1.786   3.046   0.179  1.00  0.00           H  
HETATM   85  H40 UNL     1       3.413   3.696   0.286  1.00  0.00           H  
HETATM   86  H41 UNL     1       3.624   1.041   2.392  1.00  0.00           H  
HETATM   87  H42 UNL     1       3.588   2.746   2.071  1.00  0.00           H  
HETATM   88  H43 UNL     1       5.786   2.963   1.657  1.00  0.00           H  
HETATM   89  H44 UNL     1       5.805   1.518   2.673  1.00  0.00           H  
HETATM   90  H45 UNL     1       6.203   0.096   0.811  1.00  0.00           H  
HETATM   91  H46 UNL     1       7.557   2.501   1.042  1.00  0.00           H  
HETATM   92  H47 UNL     1       5.732   3.626  -0.281  1.00  0.00           H  
HETATM   93  H48 UNL     1       5.208   3.146  -1.999  1.00  0.00           H  
HETATM   94  H49 UNL     1       6.889   3.057  -1.477  1.00  0.00           H  
HETATM   95  H50 UNL     1       6.670  -0.340  -1.399  1.00  0.00           H  
HETATM   96  H51 UNL     1       6.217   0.859  -2.748  1.00  0.00           H  
HETATM   97  H52 UNL     1       7.518   1.189  -1.610  1.00  0.00           H  
HETATM   98  H53 UNL     1       3.821   1.406  -1.776  1.00  0.00           H  
HETATM   99  H54 UNL     1       5.012  -1.019  -0.420  1.00  0.00           H  
HETATM  100  H55 UNL     1       4.434  -1.711  -2.509  1.00  0.00           H  
HETATM  101  H56 UNL     1       2.341  -0.983  -1.750  1.00  0.00           H  
HETATM  102  H57 UNL     1       3.198  -2.264  -0.918  1.00  0.00           H  
HETATM  103  H58 UNL     1       3.136  -2.454   1.423  1.00  0.00           H  
HETATM  104  H59 UNL     1       2.737  -1.170   2.564  1.00  0.00           H  
HETATM  105  H60 UNL     1       4.211  -1.065   1.441  1.00  0.00           H  
CONECT    1    2   46   47   48
CONECT    2    3    4    4
CONECT    3   49   50   51
CONECT    4    5   52
CONECT    5    6   53   54
CONECT    6    7   55   56
CONECT    7    8    9   21
CONECT    8   57   58   59
CONECT    9   10
CONECT   10   11   19   60
CONECT   11   12
CONECT   12   13   15   61
CONECT   13   14   62   63
CONECT   14   64
CONECT   15   16   17   65
CONECT   16   66
CONECT   17   18   19   67
CONECT   18   68
CONECT   19   20   69
CONECT   20   70
CONECT   21   22   26   71
CONECT   22   23   72   73
CONECT   23   24   74   75
CONECT   24   25   26   44
CONECT   25   76   77   78
CONECT   26   27   79
CONECT   27   28   28   29
CONECT   29   30   80   81
CONECT   30   31   44   82
CONECT   31   32   33   40
CONECT   32   83   84   85
CONECT   33   34   86   87
CONECT   34   35   88   89
CONECT   35   36   37   90
CONECT   36   91
CONECT   37   38   39   40
CONECT   38   92   93   94
CONECT   39   95   96   97
CONECT   40   41   98
CONECT   41   42   43   99
CONECT   42  100
CONECT   43   44  101  102
CONECT   44   45
CONECT   45  103  104  105
END
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SMILES for HMDB0039943 (Ginsenoside Rh8)

CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C
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INCHI for HMDB0039943 (Ginsenoside Rh8)

InChI=1S/C36H60O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20,22-31,37,39-43H,9,11-18H2,1-8H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(+)-Ginsenoside RH8HMDB
Chemical FormulaC36H60O9
Average Molecular Weight636.8562
Monoisotopic Molecular Weight636.423733518
IUPAC Name5,8-dihydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-16-one
Traditional Name5,8-dihydroxy-2,6,6,10,11-pentamethyl-14-(6-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-16-one
CAS Registry Number343780-69-8
SMILES
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C
InChI Identifier
InChI=1S/C36H60O9/c1-19(2)10-9-13-36(8,45-31-29(43)28(42)27(41)23(18-37)44-31)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(40)32(3,4)30(33)22(39)17-35(24,34)7/h10,20,22-31,37,39-43H,9,11-18H2,1-8H3
InChI KeyVGJOYFZLAIERID-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 ParentsNot Available
SubstituentsNot Available
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
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 Solubility0.064 g/LALOGPS
logP2.91ALOGPS
logP2.84ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)12.21ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area156.91 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity170.32 m³·mol⁻¹ChemAxon
Polarizability72.41 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]+245.05131661259
DarkChem[M-H]-236.57131661259
DeepCCS[M-2H]-277.63130932474
DeepCCS[M+Na]+252.70930932474
AllCCS[M+H]+244.232859911
AllCCS[M+H-H2O]+243.432859911
AllCCS[M+NH4]+245.032859911
AllCCS[M+Na]+245.232859911
AllCCS[M-H]-229.932859911
AllCCS[M+Na-2H]-234.432859911
AllCCS[M+HCOO]-239.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Ginsenoside Rh8CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C3060.1Standard polar33892256
Ginsenoside Rh8CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C4206.8Standard non polar33892256
Ginsenoside Rh8CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC21C4938.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Ginsenoside Rh8,1TMS,isomer #1CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4956.9Semi standard non polar33892256
Ginsenoside Rh8,1TMS,isomer #2CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4969.5Semi standard non polar33892256
Ginsenoside Rh8,1TMS,isomer #3CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4959.8Semi standard non polar33892256
Ginsenoside Rh8,1TMS,isomer #4CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4946.9Semi standard non polar33892256
Ginsenoside Rh8,1TMS,isomer #5CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4953.5Semi standard non polar33892256
Ginsenoside Rh8,1TMS,isomer #6CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4916.0Semi standard non polar33892256
Ginsenoside Rh8,1TMS,isomer #7CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4774.5Semi standard non polar33892256
Ginsenoside Rh8,1TMS,isomer #8CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4951.6Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #1CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4869.6Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #10CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4845.5Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #11CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4800.4Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #12CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4701.1Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #13CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4855.4Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #14CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4889.3Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #15CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4811.9Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #16CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4762.6Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #17CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4670.2Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #18CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4826.8Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #19CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4822.7Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #2CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4860.0Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #20CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4777.7Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #21CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4666.1Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #22CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4830.8Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #23CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O[Si](C)(C)C)CC12C4812.5Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #24CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4652.9Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #25CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4819.5Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #26CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4620.9Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #27CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4763.2Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #3CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4861.5Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #4CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4846.5Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #5CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4807.5Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #6CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4686.9Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #7CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4843.5Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #8CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4872.4Semi standard non polar33892256
Ginsenoside Rh8,2TMS,isomer #9CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4865.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #1CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4764.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #10CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4586.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #11CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4690.0Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #12CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4683.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #13CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4644.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #14CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4581.6Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #15CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4697.4Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #16CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O[Si](C)(C)C)CC12C4669.6Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #17CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4549.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #18CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4661.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #19CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4532.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #2CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4743.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #20CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4622.4Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #21CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4779.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #22CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4681.3Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #23CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4633.5Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #24CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4582.7Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #25CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4713.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #26CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4679.0Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #27CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4636.0Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #28CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4577.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #29CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4709.5Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #3CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4703.3Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #30CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O[Si](C)(C)C)CC12C4652.9Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #31CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4552.6Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #32CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4664.0Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #33CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4528.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #34CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4618.6Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #35CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4700.2Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #36CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4655.6Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #37CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4589.0Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #38CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4722.7Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #39CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O[Si](C)(C)C)CC12C4619.0Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #4CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4659.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #40CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4527.5Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #41CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4636.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #42CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4503.1Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #43CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4586.9Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #44CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O[Si](C)(C)C)CC12C4636.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #45CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4514.6Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #46CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4638.3Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #47CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4496.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #48CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4595.4Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #49CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O[Si](C)(C)C)CC12C4530.9Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #5CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4604.9Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #50CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O[Si](C)(C)C)CC12C4611.1Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #6CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4713.9Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #7CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C4764.8Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #8CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C)C(C)(C)C3C(O)CC12C4681.1Semi standard non polar33892256
Ginsenoside Rh8,3TMS,isomer #9CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C)CC12C4638.3Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #1CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5161.2Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #2CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5202.7Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #3CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5182.0Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #4CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5182.3Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #5CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O)CC12C5170.4Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #6CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5138.1Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #7CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5046.7Semi standard non polar33892256
Ginsenoside Rh8,1TBDMS,isomer #8CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5176.7Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #1CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5309.0Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #10CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O)CC12C5292.3Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #11CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5249.9Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #12CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5167.2Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #13CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5312.2Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #14CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5351.1Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #15CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O)CC12C5261.2Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #16CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5206.3Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #17CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5130.5Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #18CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5284.9Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #19CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O)CC12C5268.0Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #2CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5293.9Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #20CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5227.7Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #21CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1=C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5135.2Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #22CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5292.4Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #23CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5240.2Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #24CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O)CC12C5105.0Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #25CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)=CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O)CC12C5266.5Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #26CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5065.4Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #27CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5212.4Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #3CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5301.5Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #4CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)C3C(O)CC12C5259.1Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #5CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O[Si](C)(C)C(C)(C)C)CC12C5221.1Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #6CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1=C(O[Si](C)(C)C(C)(C)C)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5134.2Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #7CC(C)=CCCC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC2(C)C1C(O[Si](C)(C)C(C)(C)C)=CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5271.2Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #8CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5337.6Semi standard non polar33892256
Ginsenoside Rh8,2TBDMS,isomer #9CC(C)=CCCC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC2(C)C1C(=O)CC1C3(C)CCC(O)C(C)(C)C3C(O)CC12C5333.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (Non-derivatized) - 70eV, Positivesplash10-066r-5610159000-1528267b6d35ce3780172017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Ginsenoside Rh8 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 - Ginsenoside Rh8 10V, Positive-QTOFsplash10-0lg0-0000809000-e30593d43d6c45aaadd52015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 20V, Positive-QTOFsplash10-0a4i-1101901000-22ddadd31199aa36c6f32015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 40V, Positive-QTOFsplash10-0aor-4110900000-68b08162e97455c631b02015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 10V, Negative-QTOFsplash10-052r-1100719000-48d3f45725604b79a6de2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 20V, Negative-QTOFsplash10-0ab9-1100901000-88cf720dca271b3fd6ef2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 40V, Negative-QTOFsplash10-0ab9-3001900000-d6c214503c3d1b74956b2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 10V, Negative-QTOFsplash10-000i-0000009000-380723d1a0411c8388c72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 20V, Negative-QTOFsplash10-000i-2100129000-9cc5f4914027c66873232021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 40V, Negative-QTOFsplash10-0ab9-9202501000-4e3dec33a1f1a30639e12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 10V, Positive-QTOFsplash10-052r-0101922000-a7d33a7fd5a63ba272612021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 20V, Positive-QTOFsplash10-07br-5730976000-2060e1311687e8d670ac2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Ginsenoside Rh8 40V, Positive-QTOFsplash10-0002-9506200000-0192ce58bd2ec533e2902021-09-23Wishart 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 IDFDB019605
KNApSAcK IDC00032994
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound85245726
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.