Structure Database (LMSD)
Common Name
Confusoside
Systematic Name
1-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]-3-(4-hydroxyphenyl)-1-propanone
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Confusoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
BIZAJDCIOZNYLQ-YMQHIKHWSA-N
InChi (Click to copy)
InChI=1S/C21H24O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-2,4-7,9,17-23,25-28H,3,8,10H2/t17-,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC(C(=O)CCC2=CC=C(O)C=C2)=C1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
30
Rings
3
Aromatic Rings
2
Rotatable Bonds
7
Van der Waals Molecular Volume
373.61
Topological Polar Surface Area
158.98
Hydrogen Bond Donors
6
Hydrogen Bond Acceptors
9
logP
1.81
Molar Refractivity
106.31
Admin
Created at
-
Updated at
31st May 2024