Pedaliin

2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Also Known As: Pedaliin|J2.940.333C|4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-(beta-D-galactopyranosyloxy)-5-hydroxy-7-methoxy-|6-(beta-D-Galactopyranosyloxy)-3 ,4 ,5-trihydroxy-7-methoxyflavone|2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-6-yl hexopyranoside|2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-4H-1-benzopyran-6-yl beta-D-galactopyranoside|2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one|2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Molecular Formula	C22H22O12
Molecular Weight	478.1111 g/mol
LogP	0.5
Topological Polar Surface Area	196.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	5
Exact Mass	478.1111
Monoisotopic Mass	478.1111
Heavy Atoms	34
Complexity	760.0

Chemical Identifiers

CAS Number	76449-91-7
SMILES	COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O
InChIKey	WLDSVYQTJXGHOT-LEQQURNDSA-N