Showing entry for Ginsenoside Rh1
Identification
- PhytoHub ID
- PHUB000953
- Name
- Ginsenoside Rh1
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 638.883
- Monoisotopic Mass
- 638.439383576
- Chemical Formula
- C36H62O9
- IUPAC Name
- (2R,3R,4S,5S,6R)-2-{[(2R,5S,8S,10R,11R,16R)-5,16-dihydroxy-14-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- InChI Key
- RAQNTCRNSXYLAH-GMRSYGDLSA-N
- InChI Identifier
InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20?,21-,22+,23-,24?,25+,26?,27-,28+,29-,30?,31-,33-,34-,35-,36+/m1/s1
- SMILES
CC(C)=CCC[C@](C)(O)C1CC[C@]2(C)C1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.43e-02 g/l
- LogS (ALOGPS)
- -3.93
- LogP (ALOGPS)
- 2.68
- Hydrogen Acceptors
- 9
- Hydrogen Donors
- 7
- Rotatable Bond Count
- 7
- Polar Surface Area
- 160.07
- Refractivity
- 171.2417
- Polarizability
- 72.85519552334488
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.838900957340167
- pKa (strongest acidic)
- 12.207106820940874
External Links
- PubChem
- 3085260
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Ginsenoside Re | Terpenoids | Triterpenoids | Saponins | Show Precursor |
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Ginsenoside Re | Ginsenoside Rh1 | human rat | plasma, urine (minor) | C36H62O9 | 638.439383576 | Publications |