Neoisoliquiritigenin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 2
Total Number of Articles : 1
PubChem 72728334
Molecular Formula

C21H22O9

SMILES

C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O

InChI

InChI=1S/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-5-1-11(2-6-13)3-8-15(24)14-7-4-12(23)9-16(14)25/h1-9,17-23,25-28H,10H2

synonyms
  • 7014-39-3
  • Neoisoliquiritigenin
  • SCHEMBL25206709
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Properties
Property Value
MW 418.4 g/mol
HBD 6
HBA 9
Rotatable Bond Count 6
Exact Mass 418.12638228 g/mol
Monoisotopic Mass 418.12638228 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 589
xlogp 1.7
Topological Polar Surface Area 157