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
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Precursor Taxonomy

PrecursorFamilyClassSub-class
Ginsenoside ReTerpenoidsTriterpenoidsSaponinsShow Precursor

Spectra

No spectra information available

Food Sources

No food source information available

Metabolism

PrecursorMetaboliteSpeciesBiofluidsFormulaMonoisotopic mass
Ginsenoside Re Ginsenoside Rg2raturine (minor)C42H72O13784.497292378 Publications
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