Showing entry for Ginsenoside Rg2
Identification
- PhytoHub ID
- PHUB000954
- Name
- Ginsenoside Rg2
- 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-{[(2R,8R,11R,16S)-5,16-dihydroxy-14-[(2S,5E)-2-hydroxy-6-methyloct-5-en-2-yl]-2,6,6,11-tetramethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-8-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\CC[C@](C)(O)C1CC[C@@]2(C)C1[C@@H](O)CC1C2C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)C2C(C)(C)C(O)CC[C@]12C
- Structure
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
- 86.59343773098578
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.9010946832290703
- pKa (strongest acidic)
- 12.098254574189763
External Links
- PubChem
- 6441009
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 Rg2 | rat | urine (minor) | C42H72O13 | 784.497292378 | Publications |