Structure Database (LMSD)
Common Name
Chrysoeriol 7-alpha-L-arabinofuranosyl-(1->6)-glucoside
Systematic Name
Synonyms
3D model of Chrysoeriol 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)
WGQZBBOLNCUXLC-FZDLENLWSA-N
InChi (Click to copy)
InChI=1S/C27H30O15/c1-37-16-4-10(2-3-12(16)29)15-7-14(31)20-13(30)5-11(6-17(20)40-15)39-27-25(36)23(34)22(33)19(42-27)9-38-26-24(35)21(32)18(8-28)41-26/h2-7,18-19,21-30,32-36H,8-9H2,1H3/t18-,19+,21-,22+,23-,24+,25+,26+,27+/m0/s1
SMILES (Click to copy)
C1C=C(O)C(OC)=CC=1C1=CC(=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
42
Rings
5
Aromatic Rings
3
Rotatable Bonds
8
Van der Waals Molecular Volume
491.89
Topological Polar Surface Area
242.34
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
15
logP
2.57
Molar Refractivity
144.52
Admin
Created at
-
Updated at
6th Jan 2022