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
Status
Active
Exact Mass
Calculate m/z
800.49221
Formula


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MDLMOL SDF CSV TSV
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Main

Classification

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
CHEBI ID
PubChem CID

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

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