Structure Database (LMSD)
Common Name
Artabotryside A
Systematic Name
Synonyms
- Quercetin 3-rhamnosyl-(1->2)-alpha-L-arabinofuranoside
3D model of Artabotryside A
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)
XEVCYXAGQGYIRG-NEICZGRHSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c1-8-17(32)20(35)21(36)25(37-8)41-24-18(33)15(7-27)39-26(24)40-23-19(34)16-13(31)5-10(28)6-14(16)38-22(23)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-21,24-33,35-36H,7H2,1H3/t8-,15-,17-,18-,20+,21+,24+,25-,26-/m0/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
41
Rings
5
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
474.59
Topological Polar Surface Area
253.34
Hydrogen Bond Donors
9
Hydrogen Bond Acceptors
15
logP
2.71
Molar Refractivity
139.40
Admin
Created at
-
Updated at
30th Sep 2021