Structure Database (LMSD)
Common Name
Quercetin 3-glucosyl-(1->4)-galactoside
Systematic Name
2-(3,4-Dihydroxyphenyl)-3-[(4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
Synonyms
3D model of Quercetin 3-glucosyl-(1->4)-galactoside
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)
UTECWQIXBMWRRR-IOISQHTLSA-N
InChi (Click to copy)
InChI=1S/C27H30O17/c28-6-14-17(34)19(36)21(38)26(41-14)43-24-15(7-29)42-27(22(39)20(24)37)44-25-18(35)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17,19-22,24,26-34,36-39H,6-7H2/t14-,15-,17-,19+,20-,21-,22-,24+,26+,27+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(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)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
7
Van der Waals Molecular Volume
509.47
Topological Polar Surface Area
293.80
Hydrogen Bond Donors
11
Hydrogen Bond Acceptors
17
logP
1.62
Molar Refractivity
147.82
Admin
Created at
-
Updated at
2nd Dec 2021