Structure Database (LMSD)
Common Name
Arthromerin A
Systematic Name
Afzelechin-3-O-β-D-xylopyranoside
Synonyms
3D model of Arthromerin A
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
PNKDYHXWXNUKQK-AZQPHWPRSA-N
InChi (Click to copy)
InChI=1S/C20H22O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-6,14,16-26H,7-8H2/t14-,16-,17+,18-,19+,20+/m1/s1
SMILES (Click to copy)
C1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1CC2=C(C=C(C=C2O[C@H]1C1=CC=C(C=C1)O)O)O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Selliguea mairei
(#1190828)
Polypodiopsida
(#241806)
Two afzelechin glycosides from Arthromeris mairei,
Phytochemistry, 1992
Phytochemistry, 1992
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
2
Rotatable Bonds
3
Van der Waals Molecular Volume
346.59
Topological Polar Surface Area
153.21
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
9
logP
2.02
Molar Refractivity
100.63
Admin
Created at
-
Updated at
24th Jan 2022