Structure Database (LMSD)

Common Name
Ginsenoside Rh2
Systematic Name
12β,20-dihydroxydammar-24-en-3β-yl β-D-glucopyranoside
Synonyms
LM ID
LMPR0106080018
Formula
C36H62O8
Exact Mass
Calculate m/z
622.44447
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
CKUVNOCSBYYHIS-IRFFNABBSA-N
InChi (Click to copy)
InChI=1S/C36H62O8/c1-20(2)10-9-14-36(8,42)21-11-16-35(7)27(21)22(38)18-25-33(5)15-13-26(32(3,4)24(33)12-17-34(25,35)6)44-31-30(41)29(40)28(39)23(19-37)43-31/h10,21-31,37-42H,9,11-19H2,1-8H3/t21-,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@H]2[C@H](O)[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)CC/C=C(\C)/C)([H])[C@@]4([H])[C@H](O)C[C@]3([H])[C@@]12C

Other Databases

CHEBI ID
77147
PubChem CID
119307

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 5
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 637.24
Topological Polar Surface Area 141.91
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 6.90
Molar Refractivity 172.90

Admin

Created at
14th Jun 2021
Updated at
20th Oct 2021