Structure Database (LMSD)

HO O OH OH O OH HO HO O HO O H HO OH H H H
Common Name
Ginsenoside Rg2
Systematic Name
(6α)-3β,12β,20-trihydroxydammar-24-en-6-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside
Synonyms
  • Chikusetsusaponin I
  • Panaxoside Rg2
  • Prosapogenin C2
LM ID
LMPR0106080012
Formula
C42H72O13
Exact Mass
Calculate m/z
784.497295
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Dammarane triterpenoids [PR010608]

String Representations

InChiKey (Click to copy)
AGBCLJAHARWNLA-DQUQINEDSA-N
InChi (Click to copy)
InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
SMILES (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])[C@@H](O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H]([C@@H](O)[C@H](C)O4)O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@@]3(C)[C@]4(C)CC[C@@]([C@](O)(C)CC/C=C(\C)/C)([H])[C@@]4([H])[C@H](O)C[C@]3([H])[C@@]12C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Panax ginseng (#4054)
Magnoliopsida (#3398)
Ginseng pharmacology: multiple constituents and multiple actions.,
Biochem Pharmacol, 1999
Pubmed ID: 10571242

Other Databases

CHEBI ID
77151
PubChem CID
21599924

Calculated Physicochemical Properties

Heavy Atoms 55
Rings 6
Aromatic Rings
Rotatable Bonds 9
Van der Waals Molecular Volume 772.63
Topological Polar Surface Area 223.13
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 13
logP 6.44
Molar Refractivity 208.59

Admin

Created at
10th Jun 2021
Updated at
14th Jun 2021