Structure Database (LMSD)
Common Name
Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
Systematic Name
Synonyms
- Rhamnetin 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
3D model of Quercetin 7-methyl ether 3-alpha-L-arabinopyranosyl-(1->3)-galactoside
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)
WZADWCJKLHXCDV-UVQIMIQHSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-38-10-5-13(31)17-15(6-10)40-23(9-2-3-11(29)12(30)4-9)25(20(17)35)43-27-22(37)24(19(34)16(7-28)41-27)42-26-21(36)18(33)14(32)8-39-26/h2-6,14,16,18-19,21-22,24,26-34,36-37H,7-8H2,1H3/t14-,16+,18-,19-,21+,22+,24-,26-,27-/m0/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)[C@@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(OC)=CC=2O1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
262.57
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
16
logP
2.27
Molar Refractivity
146.18
Admin
Created at
-
Updated at
4th Jan 2022