Structure Database (LMSD)
Common Name
Quercetin 3-methyl ether 7-galactosyl-(1->4)-glucoside
Systematic Name
Synonyms
3D model of Quercetin 3-methyl ether 7-galactosyl-(1->4)-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)
ZEFAZHUPULGHQG-VDWZJSFHSA-N
InChi (Click to copy)
InChI=1S/C28H32O17/c1-40-26-19(35)17-13(33)5-10(6-14(17)42-24(26)9-2-3-11(31)12(32)4-9)41-27-23(39)21(37)25(16(8-30)44-27)45-28-22(38)20(36)18(34)15(7-29)43-28/h2-6,15-16,18,20-23,25,27-34,36-39H,7-8H2,1H3/t15-,16-,18+,20+,21-,22-,23-,25-,27-,28+/m1/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=C(OC)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)[C@@H](CO)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
45
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
526.77
Topological Polar Surface Area
282.80
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
17
logP
1.92
Molar Refractivity
152.70
Admin
Created at
-
Updated at
13th Dec 2021