Structure Database (LMSD)
Common Name
Chalconaringenin 2',4'-di-O-glucoside
Systematic Name
4,2',4',6'-Tetrahydroxychalcone 2',4'-di-O-glucoside
Synonyms
3D model of Chalconaringenin 2',4'-di-O-glucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
QTLVRDBUJNNTDS-BUIGSLFCSA-N
InChi (Click to copy)
InChI=1S/C27H32O15/c28-9-17-20(33)22(35)24(37)26(41-17)39-13-7-15(32)19(14(31)6-3-11-1-4-12(30)5-2-11)16(8-13)40-27-25(38)23(36)21(34)18(10-29)42-27/h1-8,17-18,20-30,32-38H,9-10H2/b6-3+/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C(O)C(C(=O)/C=C/C2C=CC(O)=CC=2)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=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
42
Rings
4
Aromatic Rings
2
Rotatable Bonds
9
Van der Waals Molecular Volume
515.15
Topological Polar Surface Area
260.43
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
15
logP
0.78
Molar Refractivity
144.47
Admin
Created at
-
Updated at
23rd Sep 2021