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-hexadecahydro-1H-cyclopenta[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[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
86.2261892669697
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

Taxonomy as Metabolite

Family
Terpenoid metabolites
Class
Triterpenoid metabolites
Sub-class
Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
Ginsenoside ReTerpenoidsTriterpenoidsSaponinsShow Food Phytochemical

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 from Online Resources

No spectra information available

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Ginsenoside Re Ginsenoside Rg2raturine (minor)Not AvailableNot AvailableNot AvailableNot AvailableC42H72O13784.497292378 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Back