AC1NUQR7

(7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate

Also Known As: (7-hydroxy-4-oxochromen-3-yl) (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylate|beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl O-beta-D-galactopyranosyl-|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl O-b-D-galactopyranosyl-b-D-glucopyranosiduronic acid|7-Hydroxy-4-oxo-4H-1-benzopyran-3-yl (2S,3S,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-2,3,4,5-tetrahydroxy-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylate

Molecular Formula	C27H28O18
Molecular Weight	640.12756 g/mol
LogP	-3.7138
Topological Polar Surface Area	306.73 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	18
Rotatable Bonds	6
Exact Mass	640.12756
Monoisotopic Mass	640.12756
Heavy Atoms	45
Complexity	1639.7004

Chemical Identifiers

CAS Number	77154-70-2
SMILES	C1=CC(=C(C=C1[C@]2([C@H]([C@@H]([C@](O[C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)(C(=O)OC4=COC5=C(C4=O)C=CC(=C5)O)O)O)O)O)O)O