Structure Database (LMSD)
Common Name
Onogenin 7-O-glucoside
Systematic Name
7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone 7-O-glucoside
Synonyms
- Onoside
3D model of Onogenin 7-O-glucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
MUMZCCFWSDSRJP-UMTYBONSSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-29-14-6-17-16(31-9-32-17)5-12(14)13-8-30-15-4-10(2-3-11(15)19(13)25)33-23-22(28)21(27)20(26)18(7-24)34-23/h2-6,13,18,20-24,26-28H,7-9H2,1H3/t13?,18-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=CC2C(=O)C(C3C(OC)=CC4OCOC=4C=3)COC=2C=1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
34
Rings
5
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
401.07
Topological Polar Surface Area
161.65
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
11
logP
1.96
Molar Refractivity
116.06
Admin
Created at
-
Updated at
31st May 2024