apiin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 5
Total Number of Articles : 5
PubChem 5280746
Molecular Formula

C26H28O14

SMILES

C1[C@@]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)(CO)O

InChI

InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18-,20-,21+,22-,23+,24-,25+,26-/m1/s1

synonyms
  • apiin
  • 26544-34-3
  • Apigenin-7-apioglucoside
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Properties
Property Value
MW 564.5 g/mol
HBD 8
HBA 14
Rotatable Bond Count 7
Exact Mass 564.14790556 g/mol
Monoisotopic Mass 564.14790556 g/mol
Heavy Atom Count 40
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 923
xlogp -0.4
Topological Polar Surface Area 225