icariin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 613
Total Number of Articles : 465
PubChem 5318997
Molecular Formula

C33H40O15

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O

InChI

InChI=1S/C33H40O15/c1-13(2)5-10-17-19(45-33-28(42)26(40)23(37)20(12-34)46-33)11-18(35)21-24(38)31(48-32-27(41)25(39)22(36)14(3)44-32)29(47-30(17)21)15-6-8-16(43-4)9-7-15/h5-9,11,14,20,22-23,25-28,32-37,39-42H,10,12H2,1-4H3/t14-,20+,22-,23+,25+,26-,27+,28+,32-,33+/m0/s1

synonyms
  • Icariin
  • 489-32-7
  • Ieariline
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Properties
Property Value
MW 676.7 g/mol
HBD 8
HBA 15
Rotatable Bond Count 9
Exact Mass 676.23672056 g/mol
Monoisotopic Mass 676.23672056 g/mol
Heavy Atom Count 48
Isotope Atom Count 0
Atom Stereo Count 10
Covalent Unit Count 1
Complexity 1170
xlogp 1.7
Topological Polar Surface Area 234