Structure Database (LMSD)
Common Name
Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Systematic Name
Synonyms
3D model of Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(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)
PWFJILMZPHBSAY-KGMVULQJSA-N
InChi (Click to copy)
InChI=1S/C33H40O20/c1-9-19(38)22(41)25(44)32(48-9)52-28-10(2)49-31(27(46)24(28)43)47-8-17-20(39)23(42)26(45)33(51-17)53-30-21(40)18-15(37)6-12(34)7-16(18)50-29(30)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-20,22-28,31-39,41-46H,8H2,1-2H3/t9-,10-,17+,19-,20+,22+,23-,24-,25+,26+,27+,28-,31+,32-,33-/m0/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](O)[C@H](O)[C@@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@H](C)O4)O3)C(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
6
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
627.28
Topological Polar Surface Area
334.56
Hydrogen Bond Donors
12
Hydrogen Bond Acceptors
20
logP
2.65
Molar Refractivity
179.70
Admin
Created at
-
Updated at
4th Jan 2022