Structure Database (LMSD)
Common Name
Rhamnazin 3-xylosyl-(1->2)-glucoside
Systematic Name
Synonyms
- Quercetin 7,3'-dimethyl ether 3-xylosyl-(1->2)-glucoside
3D model of Rhamnazin 3-xylosyl-(1->2)-glucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
WJKYBTZSJZIIRR-NETXBHIPSA-N
InChi (Click to copy)
InChI=1S/C28H32O16/c1-38-11-6-13(31)18-16(7-11)41-24(10-3-4-12(30)15(5-10)39-2)25(21(18)35)43-28-26(22(36)20(34)17(8-29)42-28)44-27-23(37)19(33)14(32)9-40-27/h3-7,14,17,19-20,22-23,26-34,36-37H,8-9H2,1-2H3/t14-,17-,19+,20-,22+,23-,26-,27+,28+/m1/s1
SMILES (Click to copy)
C1C=C(O)C(OC)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(=O)C2C(O)=CC(OC)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
44
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
517.98
Topological Polar Surface Area
251.57
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
16
logP
2.58
Molar Refractivity
151.07
Admin
Created at
-
Updated at
3rd Oct 2021