Structure Database (LMSD)
Common Name
Eriodictyol 5,3'-di-O-glucoside
Systematic Name
5,7,3',4'-Tetrahydroxyflavanone 5,3'-di-O-glucoside
Synonyms
3D model of Eriodictyol 5,3'-di-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)
HKQQKSZMCFFSJH-WTNGUOIHSA-N
InChi (Click to copy)
InChI=1S/C27H32O16/c28-7-17-20(33)22(35)24(37)26(42-17)40-14-3-9(1-2-11(14)31)13-6-12(32)19-15(39-13)4-10(30)5-16(19)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-5,13,17-18,20-31,33-38H,6-8H2/t13-,17+,18+,20+,21+,22-,23-,24+,25+,26+,27+/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C(O)=CC=3)CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
2
Rotatable Bonds
7
Van der Waals Molecular Volume
514.22
Topological Polar Surface Area
271.73
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
16
logP
0.60
Molar Refractivity
143.42
Admin
Created at
-
Updated at
13th Apr 2022