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
Status
Active
Exact Mass
Calculate m/z
946.55012
Formula
C48H82O18
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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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)
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

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

CHEBI ID
67988
PubChem CID
11679800

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

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