AC1NUQU2

acetic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Also Known As: 4H-1-Benzopyran-4-one, 7-((2(or 6)-O-acetyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-|Acetic acid--5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside (1/1)|Acetic acid--5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside (1/1)|acetic acid; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-chromen-4-one|acetic acid; 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Molecular Formula	C23H24O12
Molecular Weight	492.12677 g/mol
LogP	0.1408
Topological Polar Surface Area	207.35 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	11
Rotatable Bonds	4
Exact Mass	492.12677
Monoisotopic Mass	492.12677
Heavy Atoms	35
Complexity	1229.7206

Chemical Identifiers

CAS Number	79080-62-9
SMILES	CC(=O)O.C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O