Structure Database (LMSD)
Common Name
Liquiritigenin 4'-O-apiosyl(1->2)-glucoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Liquiritigenin 4'-O-apiosyl(1->2)-glucoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
FTVKHUHJWDMWIR-LYWYYRHBSA-N
InChi (Click to copy)
InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17?,19-,20-,21+,22-,23+,24-,25+,26-/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O[C@H]4[C@H](O[C@H]5[C@@H]([C@@](CO)(CO5)O)O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)CC(=O)C=2C=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
39
Rings
5
Aromatic Rings
2
Rotatable Bonds
7
Van der Waals Molecular Volume
470.55
Topological Polar Surface Area
211.04
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
13
logP
1.89
Molar Refractivity
133.48
Admin
Created at
-
Updated at
26th Oct 2021