Structure Database (LMSD)
Common Name
Galangin 7-glucoside
Systematic Name
Synonyms
3D model of Galangin 7-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)
KITQZTHJDLCXMR-HMGRVEAOSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c22-8-13-15(24)17(26)19(28)21(31-13)29-10-6-11(23)14-12(7-10)30-20(18(27)16(14)25)9-4-2-1-3-5-9/h1-7,13,15,17,19,21-24,26-28H,8H2/t13-,15-,17+,19-,21-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1
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
4th Nov 2021