Structure Database (LMSD)

Common Name
Ginsenoside Rg1
Systematic Name
3β,12β-dihydroxydammar-24-ene-6α,20-diyl bis-β-D-glucopyranoside
Synonyms
  • Ginsenoside A2
  • Panaxoside A
  • Panaxoside Rg1
  • Sanchinoside C1
  • Sanchinoside Rg1
LM ID
LMPR0106080011
Formula
C42H72O14
Exact Mass
Calculate m/z
800.49221
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
YURJSTAIMNSZAE-HHNZYBFYSA-N
InChi (Click to copy)
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 (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C[C@@]3(C)[C@]4(C)CC[C@@]([C@](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)(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

KEGG ID
C08946
CHEBI ID
67987
PubChem CID
441923

Calculated Physicochemical Properties

Heavy Atoms 56
Rings 6
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 781.42
Topological Polar Surface Area 243.36
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 14
logP 5.70
Molar Refractivity 210.49

Admin

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