puerarin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 635
Total Number of Articles : 497
PubChem 170835708
Molecular Formula

C21H19O9-

SMILES

C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)[O-])O

InChI

InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/p-1/t14-,17-,18+,19-,21+/m1/s1

synonyms
  • Puerarin
  • puerarin(1-)
  • CHEBI:229573
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Properties
Property Value
MW 415.4 g/mol
HBD 5
HBA 9
Rotatable Bond Count 3
Exact Mass 415.10290718 g/mol
Monoisotopic Mass 415.10290718 g/mol
Heavy Atom Count 30
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 659
xlogp 0.7
Topological Polar Surface Area 160