Structure Database (LMSD)
Common Name
Quercetin 3-(2''',3''',5'''-triacetyl-alpha-L-arabinofuranosyl)(1->6)-glucoside
Systematic Name
Synonyms
3D model of Quercetin 3-(2''',3''',5'''-triacetyl-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)
SPRJCDJDRBHCDG-PORTXAGJSA-N
InChi (Click to copy)
InChI=1S/C32H34O19/c1-11(33)44-10-21-28(46-12(2)34)30(47-13(3)35)32(50-21)45-9-20-23(40)25(42)26(43)31(49-20)51-29-24(41)22-18(39)7-15(36)8-19(22)48-27(29)14-4-5-16(37)17(38)6-14/h4-8,20-21,23,25-26,28,30-32,36-40,42-43H,9-10H2,1-3H3/t20-,21+,23-,25+,26-,28+,30-,31+,32-/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](CO[C@H]4[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](COC(=O)C)O4)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
5
Aromatic Rings
3
Rotatable Bonds
13
Van der Waals Molecular Volume
605.63
Topological Polar Surface Area
291.78
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
19
logP
3.68
Molar Refractivity
169.94
Admin
Created at
-
Updated at
3rd Jan 2022