Structure Database (LMSD)

Common Name
Ginsenoside Rh1
Systematic Name
3β,12β,20-trihydroxydammar-24-en-6α-yl-β-D-glucopyranoside
Synonyms
  • 20(S)-Ginsenoside Rh1
  • Prosapogenin A2
  • Sanchinoside Rh1
LM ID
LMPR0106080017
Formula
C36H62O9
Exact Mass
Calculate m/z
638.439385
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Dammarane triterpenoids [PR010608]

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)
RAQNTCRNSXYLAH-RFCGZQMISA-N
InChi (Click to copy)
InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36-/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)CC/C=C(\C)/C)([H])[C@@]4([H])[C@H](O)C[C@]3([H])[C@@]12C

Other Databases

CHEBI ID
142487
PubChem CID
12855920

Calculated Physicochemical Properties

Heavy Atoms 45
Rings 5
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 646.03
Topological Polar Surface Area 162.14
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 9
logP 6.16
Molar Refractivity 174.80

Admin

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