Epicatechin 3-O-(3-O-methylgallate)

[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate

Also Known As: Flavan-3-ol|Epicatechin 3-O-(3-O-methylgallate)|(-)-ECG-3''-O-ME|(-)-Epicatechin-3-(3''-O-methyl) gallate|-ECG-3''-O-ME|(-)-Epicatechin 3-(3-O-methylgallate)|3-O-(3-Methylgalloyl)epicatechin|Epicatechin 3-O-(3-O-methyl)gallate|Epicatechin 3-(3-O-methylgallate)|epicatechin 3-O-(3'-O-methylgallate)|HY-N8802|epicatechin 3-(3'-O-methylgallate)|Epigallocatechin 3 -methoxygallate|TN3965|FS-7487|(-)-epicatechin 3-(3'-O-methylgallate)|(-)-Epicatechin-3-(3-O-methyl) gallate|(-)-Epicatechin 3-O-(3-O-methyl)gallate|(-)-epicatechin 3-O-(3'-O-methylgallate)|(-)-EPICATECHIN 3-(3''-O-METHYL)GALLATE|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4-dihydroxy-5-methoxybenzoate|[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4-dihydroxy-5-methoxybenzoate|2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4-dihydroxy-5-methoxybenzoate|((2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl) 3,4-dihydroxy-5-methoxybenzoate|(2R)-2alpha-(3,4-Dihydroxyphenyl)-3alpha-(3,4-dihydroxy-5-methoxybenzoyloxy)chroman-5,7-diol|(2R)-3,4-Dihydro-2alpha-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3alpha,5,7-triol 3-(3,4-dihydroxy-5-methoxybenzoate)|(2R)-3,4-Dihydro-2alpha-(3,4-dihydroxyphenyl)-3alpha-(3-methoxy-4,5-dihydroxybenzoyloxy)-2H-1-benzopyran-5,7-diol|(2R,3R)-2-(3,4-Dihydroxyphenyl)-3-(3,4-dihydroxy-5-methoxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol|(2r,3r)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2h-chromen-3-yl 3,4-dihydroxy-5-methoxybenzoate|(2R,3R)-2alpha-(3,4-Dihydroxyphenyl)-3-(3-methoxy-4,5-dihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol|[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4-dihydroxy-5-methoxy-benzoate|2alpha-(3,4-Dihydroxyphenyl)-3alpha-(3,4-dihydroxy-5-methoxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5,7-diol|3,4-Dihydroxy-5-methoxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester

Molecular Formula	C23H20O10
Molecular Weight	456.10565 g/mol
LogP	1.9
Topological Polar Surface Area	166.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	10
Rotatable Bonds	5
Exact Mass	456.10565
Monoisotopic Mass	456.10565
Heavy Atoms	33
Complexity	676.0

Chemical Identifiers

CAS Number	83104-86-3
SMILES	COC1=CC(=CC(=C1O)O)C(=O)O[C@@H]2CC3=C(C=C(C=C3O[C@@H]2C4=CC(=C(C=C4)O)O)O)O
InChIKey	XGTBMCGGGJLOPS-IFMALSPDSA-N