Procyanidin B-5 3,3'-di-O-gallate

[(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Also Known As: Procyanidin B-5 3,3'-di-O-gallate|PROCYANIDINB533DIOGALLATE|Procyanidin B5 3,3'-di-O-gallate|3,3'-Di-O-galloylprocyanidin B5|procyanidin B5-3,3'-di-gallate|HY-N9777|NP2418|TN5489|Procyanidin B-5 3,3/'-di-O-gallate|[(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate|3-O-Galloylepicatechin-(4beta->6)-epicatechin-3-O-gallate|((2R,3R)-2-(3,4-dihydroxyphenyl)-6-((2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-4-yl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl) 3,4,5-trihydroxybenzoate|(2R,2 R,4S)-2alpha,2 alpha-Bis(3,4-dihydroxyphenyl)-3,3 ,4,4 -tetrahydro-3alpha,3 alpha-di(galloyloxy)-4,6 -bi[2H-1-benzopyran]-5,5 ,7,7 -tetrol|(2R,2'R,3R,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-[4,6'-bi-1-benzopyran]-3,3'-diyl bis(3,4,5-trihydroxybenzoate)|(2R,2'R,3R,3'R,4S)-2,2'-bis(3,4-Dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-3,3',4,4'-tetrahydro-2H,2'H-4,6'-bichromene-3,3'-diyl bis(3,4,5-trihydroxybenzoate)|(2R,3R)-2-(3,4-Dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(3,4,5-trihydroxyphenyl)carbonyloxy]-3,4-dihydro-2H-1-benzopyran-4-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-6-yl]-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|[(2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-4-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate|1,1 inverted exclamation marka-[(2R,2 inverted exclamation markaR,3R,3 inverted exclamation markaR,4S)-2,2 inverted exclamation marka-Bis(3,4-dihydroxyphenyl)-3,3 inverted exclamation marka,4,4 inverted exclamation marka-tetrahydro-5,5 inverted exclamation marka,7,7 inverted exclamation marka-tetrahydroxy[4,6 inverted exclamation marka-bi-2H-1-benzopyran]-3,3 inverted exclamation marka-diyl] bis(3,4,5-trihydroxybenzoate)|1,1'-((2R,2'R,3R,3'R,4S)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-5,5',7,7'-tetrahydroxy(4,6'-bi-2H-1-benzopyran)-3,3'-diyl) bis(3,4,5-trihydroxybenzoate)|3,4,5-Trihydroxybenzoic acid [(2R)-2alpha-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-6-[[(2R)-3,4-dihydro-2alpha-(3,4-dihydroxyphenyl)-3alpha-[(3,4,5-trihydroxybenzoyl)oxy]-5,7-dihydroxy-2H-1-benzopyran]-4beta-yl]-2H-1-benzopyran]-3alpha-yl ester

Molecular Formula	C44H34O20
Molecular Weight	882.16437 g/mol
LogP	4.958
Topological Polar Surface Area	354.28 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	20
Rotatable Bonds	7
Exact Mass	882.16437
Monoisotopic Mass	882.16437
Heavy Atoms	64
Complexity	2862.734

Chemical Identifiers

CAS Number	106533-60-2
SMILES	C1[C@H]([C@H](OC2=C1C(=C(C(=C2)O)[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O