Ginsenoside Rg2
Showing entry for Ginsenoside Rg2
Identification
- PhytoHub ID
- PHUB000954
- Name
- Ginsenoside Rg2
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 785.025
- Monoisotopic Mass
- 784.497292378
- Chemical Formula
- C42H72O13
- IUPAC Name
- (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(3aR,5R,9aR,11S)-7,11-dihydroxy-1-[(5E)-2-hydroxy-6-methyloct-5-en-2-yl]-3a,6,6,9a-tetramethyl-tetradecahydrocyclopenta[a]phenanthren-5-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
- InChI Key
- QOVKKEKBURQILF-HOJASPKOSA-N
- InChI Identifier
InChI=1S/C42H72O13/c1-9-20(2)11-10-14-42(8,51)22-12-15-40(6)24-18-26(36-39(4,5)28(45)13-16-41(36,7)23(24)17-25(44)29(22)40)53-38-35(33(49)31(47)27(19-43)54-38)55-37-34(50)32(48)30(46)21(3)52-37/h11,21-38,43-51H,9-10,12-19H2,1-8H3/b20-11+/t21-,22?,23?,24?,25-,26+,27+,28?,29?,30-,31+,32+,33-,34+,35+,36?,37-,38+,40+,41+,42-/m0/s1
- SMILES
CC\C(C)=C\CCC(C)(O)C1CC[[email protected]@]2(C)C1[[email protected]@H](O)CC1C2C[[email protected]@H](O[[email protected]@H]2O[[email protected]](CO)[[email protected]@H](O)[[email protected]](O)[[email protected]]2O[[email protected]@H]2O[[email protected]@H](C)[[email protected]](O)[[email protected]@H](O)[[email protected]]2O)C2C(C)(C)C(O)CC[[email protected]]12C
- Structure
Structure for Ginsenoside Rg2
Calculated Properties
- Solubility (ALOGPS)
- 1.75e-01 g/l
- LogS (ALOGPS)
- -3.65
- LogP (ALOGPS)
- 1.69
- Hydrogen Acceptors
- 13
- Hydrogen Donors
- 9
- Rotatable Bond Count
- 10
- Polar Surface Area
- 218.98999999999995
- Refractivity
- 202.23719999999994
- Polarizability
- 86.2261892669697
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.9010946832290703
- pKa (strongest acidic)
- 12.098254574189765
- Number of Rings
- 6
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
- PubChem
- 6441009
Precursor Taxonomy
| Precursor | Family | Class | Sub-class | |
|---|---|---|---|---|
| Ginsenoside Re | Terpenoids | Triterpenoids | Saponins | Show Precursor |
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Prenol lipids
- Super-class
- Lipids and lipid-like molecules
- Sub-class
- Triterpenoids
- Direct Parent Name
- Triterpenoids
- Alternative Parent Names
- ["12-hydroxysteroids", "3-hydroxysteroids", "Acetals", "Cyclic alcohols and derivatives", "Disaccharides", "Hydrocarbon derivatives", "O-glycosyl compounds", "Oxacyclic compounds", "Oxanes", "Polyols", "Primary alcohols", "Secondary alcohols", "Tertiary alcohols"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["12-hydroxysteroid", "20-hydroxysteroid", "3-hydroxysteroid", "Acetal", "Alcohol", "Aliphatic heteropolycyclic compound", "Cyclic alcohol", "Disaccharide", "Glycosyl compound", "Hydrocarbon derivative", "Hydroxysteroid", "O-glycosyl compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Polyol", "Primary alcohol", "Secondary alcohol", "Steroid", "Tertiary alcohol", "Triterpenoid"]
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
| Precursor | Metabolite | Species | Biofluids | Origin | Formula | Monoisotopic mass | |||
|---|---|---|---|---|---|---|---|---|---|
| Ginsenoside Re | Ginsenoside Rg2 | rat | urine (minor) | Not Available | C42H72O13 | 784.497292378 | Publications |