Icariin

2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxy]chromen-4-one

Also Known As: Icariin|Icariine|4'-o-methyl-8-g,g-dimethylallylkaempferol-3-rhamnoside-7-glucoside|2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxy]chromen-4-one|2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]methoxy]chromen-4-one|4H-1-Benzopyran-4-one, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-7-(.beta.-D-glucopyranosyloxy)-5-hydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)-

Molecular Formula	C34H42O14
Molecular Weight	674.25745 g/mol
LogP	0.4
Topological Polar Surface Area	217.97 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	14
Rotatable Bonds	10
Exact Mass	674.25745
Heavy Atoms	48
Complexity	1646.3

Chemical Identifiers

CAS Number	489-32-7
SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)COC2=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)C5=CC=C(C=C5)OC)O)O)O