Structure Database (LMSD)

Common Name
Ginsenoside Rd
Systematic Name
20-(β-D-glucopyranosyloxy)-12β-hydroxydammar-24-en-3β-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms
  • Gypenoside VIII
LM ID
LMPR0106080014
Formula
Exact Mass
Calculate m/z
946.55012
Status
Active


Classification

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)
RLDVZILFNVRJTL-IWFVLDDISA-N
InChi (Click to copy)
InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,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@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@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

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 66
Rings 7
Aromatic Rings
Rotatable Bonds 13
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

Admin

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