Structure Database (LMSD)

Common Name
Ginsenoside Rg3
Systematic Name
12β,20S-dihydroxydammar-24-en-3β-yl 2-O-βD-glucopyranosyl-β-D-glucopyranoside
Synonyms
LM ID
LMPR0106080010
Formula
C42H72O13
Exact Mass
Calculate m/z
784.497295
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

String Representations

InChiKey (Click to copy)
RWXIFXNRCLMQCD-JBVRGBGGSA-N
InChi (Click to copy)
InChI=1S/C42H72O13/c1-21(2)10-9-14-42(8,51)22-11-16-41(7)29(22)23(45)18-27-39(5)15-13-28(38(3,4)26(39)12-17-40(27,41)6)54-37-35(33(49)31(47)25(20-44)53-37)55-36-34(50)32(48)30(46)24(19-43)52-36/h10,22-37,43-51H,9,11-20H2,1-8H3/t22-,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@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(C)(C)[C@]2([H])CC[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

Other Databases

CHEBI ID
67991
PubChem CID
9918693
GuidePharm ID
7658

Calculated Physicochemical Properties

Heavy Atoms 55
Rings 6
Aromatic Rings
Rotatable Bonds 10
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

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