Structure Database (LMSD)

Common Name
Ginsenoside Re
Systematic Name
20-(β-D-glucopyranosyloxy)-3β,6α,12β,20-trihydroxydammar-24-en-6-yl 2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranoside
Synonyms
  • Chikusetsusaponin IVc
  • NSC 308877
  • Panaxoside Re
  • Sanchinoside Re
LM ID
LMPR0106080015
Status
Active
Exact Mass
Calculate m/z
946.55012
Formula


Download as...
MDLMOL SDF CSV TSV
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Main

Classification

String Representations

InChiKey (Click to copy)
PWAOOJDMFUQOKB-WCZZMFLVSA-N
InChi (Click to copy)
InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/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@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 66
Rings 7
Aromatic Rings
Rotatable Bonds 12
Van der Waals Molecular Volume 908.02
Topological Polar Surface Area 304.35
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 18
logP 5.98
Molar Refractivity 244.27

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