Showing entry for Ginsenoside Rg1
Identification
- PhytoHub ID
- PHUB000169
- Name
- Ginsenoside Rg1
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 801.024
- Monoisotopic Mass
- 800.492206998
- Chemical Formula
- C42H72O14
- IUPAC Name
- ginsenoside
- InChI Key
- YURJSTAIMNSZAE-HHNZYBFYSA-N
- InChI Identifier
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
- SMILES
CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[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)
- 3.04e-01 g/l
- LogS (ALOGPS)
- -3.42
- LogP (ALOGPS)
- 1.00
- Hydrogen Acceptors
- 14
- Hydrogen Donors
- 10
- Rotatable Bond Count
- 10
- Polar Surface Area
- 239.21999999999994
- Refractivity
- 203.6550000000001
- Polarizability
- 88.31190476504406
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.9810835428030016
- pKa (strongest acidic)
- 11.909332023511931
External Links
- ChEBI
- 67987
- PubChem
- 441923
- MetaboLights
- MTBLC67987
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Ginsenoside Re | Terpenoids | Triterpenoids | Saponins | Show Precursor |
Spectra
Record ID | Source | Description | View |
---|---|---|---|
TY000020 | MassBank | LC-ESI-ITTOF Spectrum - -, [(M+CH3COOH)-H]- | View Spectra |
TY000031 | MassBank | LC-ESI-ITTOF Spectrum - -, [M+Na]+ | View Spectra |
TY000193 | MassBank | LC-ESI-ITTOF Spectrum - -, unspecified | View Spectra |
Food Sources
No food source information available
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Ginsenoside Re | Ginsenoside Rg1 | human rat | plasma, urine (major) | C42H72O14 | 800.492206998 | Publications |