Structure Database (LMSD)
Common Name
Quercetin 3-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Systematic Name
Synonyms
3D model of Quercetin 3-methyl ether 7-alpha-L-arabinofuranosyl-(1->6)-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)
JJEZLDBGCYBPQK-SLJRIFGCSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-38-25-20(34)17-13(31)5-10(6-14(17)41-24(25)9-2-3-11(29)12(30)4-9)40-27-23(37)21(35)19(33)16(43-27)8-39-26-22(36)18(32)15(7-28)42-26/h2-6,15-16,18-19,21-23,26-33,35-37H,7-8H2,1H3/t15-,16+,18-,19+,21-,22+,23+,26+,27+/m0/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](CO[C@H]4[C@H](O)[C@@H](O)[C@H](CO)O4)O3)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
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