Structure Database (LMSD)
Common Name
Demethyltexasin 4'-O-glucoside
Systematic Name
6,7,4'-Trihydroxyisoflavone 4'-O-glucoside
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Demethyltexasin 4'-O-glucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
ZWSNUPOSLDAWJS-QNDFHXLGSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c22-7-16-18(26)19(27)20(28)21(31-16)30-10-3-1-9(2-4-10)12-8-29-15-6-14(24)13(23)5-11(15)17(12)25/h1-6,8,16,18-24,26-28H,7H2/t16-,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
OC1C(O)=CC2C(=O)C(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=COC=2C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
4
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
356.50
Topological Polar Surface Area
172.12
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
10
logP
2.67
Molar Refractivity
108.80
Admin
Created at
-
Updated at
18th Oct 2021