hesperetin 3'-O-sulfate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 3
Total Number of Articles : 2
PubChem 131750808
Molecular Formula

C16H14O9S

SMILES

COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O

InChI

InChI=1S/C16H14O9S/c1-23-12-3-2-8(4-14(12)25-26(20,21)22)13-7-11(19)16-10(18)5-9(17)6-15(16)24-13/h2-6,13,17-18H,7H2,1H3,(H,20,21,22)

synonyms
  • hesperetin 3'-O-sulfate
  • CHEBI:172612
  • [5-(5,7-dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-2-methoxyphenyl] hydrogen sulate
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Properties
Property Value
MW 382.3 g/mol
HBD 3
HBA 9
Rotatable Bond Count 4
Exact Mass 382.03585319 g/mol
Monoisotopic Mass 382.03585319 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 616
xlogp 1.8
Topological Polar Surface Area 148