liquiritin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 101
Total Number of Articles : 44
PubChem 503737
Molecular Formula

C21H22O9

SMILES

C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

InChI

InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1

synonyms
  • Liquiritin
  • 551-15-5
  • Liquiritoside
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Properties
Property Value
MW 418.4 g/mol
HBD 5
HBA 9
Rotatable Bond Count 4
Exact Mass 418.12638228 g/mol
Monoisotopic Mass 418.12638228 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 593
xlogp 0.4
Topological Polar Surface Area 146