Structure database (LMSD)

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LM IDLMPK12140027
Common NameLiquiritigenin 7-glucoside-4'-apiosyl-(1->2)-glucoside
Systematic Name7,4'-Dihydroxyflavanone 7-glucoside-4'-apiosyl-(1->2)-glucoside
Synonyms-
Exact Mass
712.2215 (neutral)    Calculate m/z:
FormulaC32H40O18
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607806
METABOLOMICS IDFL2F1AGS0007
InChIKeyJUYBMOHJXUXKDN-OGRMCSAWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C32H40O18/c33-9-20-22(37)24(39)26(41)29(48-20)46-15-5-6-16-17(36)8-18(47-19(16)7-15)13-1-3-14(4-2-13)45-30-27(25(40)23(38)21(10-34)49-30)50-31-28(42)32(43,11-35)12-44-31/h1-7,18,20-31,33-35,37-43H,8-12H2/t18-,20?,21?,22+,23+,24-,25-,26?,27?,28+,29+,30+,31-,32?/m0/s1
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SMILES
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms50Rings6Aromatic Rings2Rotatable Bonds10
 van der Waals
Molecular Volume
605.94Topological Polar
Surface Area
292.26Hydrogen
Bond Donors
10Hydrogen
Bond Acceptors
18
 logP1.08Molar
Refractivity
169.26