Structure database (LMSD)

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LM IDLMPK12140025
Common NameLiquiritigenin 7-(3-acetylapiofuranoside)-4'-glucoside
Systematic Name7,4'-Dihydroxyflavanone 7-(3-acetylapiofuranoside)-4'-glucoside
Synonyms-
Exact Mass
592.1792 (neutral)    Calculate m/z:
FormulaC28H32O14
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607804
METABOLOMICS IDFL2F1AGS0005
InChIKeyHRDBWRHIIKWUOV-GGTHGQKGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C28H32O14/c1-13(31)42-28(11-30)12-37-27(25(28)36)39-16-6-7-17-18(32)9-1
9(40-20(17)8-16)14-2-4-15(5-3-14)38-26-24(35)23(34)22(33)21(10-29)41-26/h2-8,19,
21-27,29-30,33-36H,9-12H2,1H3/t19?,21?,22-,23+,24?,25-,26-,27+,28?/m1/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms42Rings5Aromatic Rings2Rotatable Bonds9
 van der Waals
Molecular Volume
511.30Topological Polar
Surface Area
217.11Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
14
 logP2.11Molar
Refractivity
143.12