Isoorientin 6-O''-beta-D-glucopyranoside

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one

Also Known As: Isoorientin 6'-O-Glucoside|Isoorientin 6-O''-beta-D-glucopyranoside|Isoorientin 6 -glucoside|6 -O-beta-D-Glucopyranosylisoorientin|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]chromen-4-one|3 ,4 ,5,7-Tetrahydroxy-6-(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)flavone|6-(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)-3 ,4 ,5,7-tetrahydroxyflavone|(1S)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-6-yl]-6-O-beta-D-glucopyranosyl-D-glucitol|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)oxan-2-yl)chromen-4-one|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]-4H-chromen-4-one

Molecular Formula	C27H30O16
Molecular Weight	610.1534 g/mol
LogP	-2.3
Topological Polar Surface Area	277.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	16
Rotatable Bonds	6
Exact Mass	610.1534
Monoisotopic Mass	610.1534
Heavy Atoms	43
Complexity	1010.0

Chemical Identifiers

CAS Number	98568-80-0
SMILES	C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O)O
InChIKey	WJLJMQTUQORVBM-KETMJRJWSA-N