8-Gingerol

[(2R,3R)-2-[1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-3,4-dihydro-2H-chromen-2-yl]-3,4,5-trihydroxy-6-oxobenzo[7]annulen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

Also Known As: 8-Gingerol|Theaflavin digallate|Theaflavin 3|Theaflavin 3,3'-digallate|Theaflavine-3,3'-digallate|Theaflavin 3,3 -digallate|Theaflavin-3,3 -digallate|THEAFLAVIN3,3-DI-O-GALLATE|(2R,2'R,3R,3'R)-2,2'-(3,4,5-Trihydroxy-6-oxo-6H-benzo[7]annulene-1,8-diyl)bis(5,7-dihydroxychroman-3,2-diyl) bis(3,4,5-trihydroxybenzoate)|(2R,2'R,3R,3'R)-2,2'-(3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulene-1,8-diyl)bis(5,7-dihydroxychroman-3,2-diyl) bis(3,4,5-trihydroxybenzoate)|(2R,3R)-2-{1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-8-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|(2R,3R)-2-{8-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzo[7]annulen-1-yl}-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate|(3,4,5-trihydroxy-6-oxo-6h-benzo[7]annulene-1,8-diyl)bis[(2r,3r)-5,7-dihydroxy-3,4-dihydro-2h-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)|[(2R,3R)-2-[1-[(2R,3R)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyl)oxy-chroman-2-yl]-3,4,5-trihydroxy-6-oxo-benzo[7]annulen-8-yl]-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate|1,8-Bis[(2R)-3alpha-(galloyloxy)-5,7-dihydroxychroman-2alpha-yl]-3,4,6-trihydroxy-5H-benzocycloheptene-5-one|1,8-Bis[3,4-dihydro-3alpha-(galloyloxy)-5,7-dihydroxy-2H-1-benzopyran-2alpha-yl]-3,4,6-trihydroxy-5H-benzocycloheptene-5-one|3,4,6-Trihydroxy-1,8-bis[[(2R)-3,4-dihydro-3alpha-(3,4,5-trihydroxybenzoyloxy)-5,7-dihydroxy-2H-1-benzopyran]-2alpha-yl]-5H-benzocycloheptene-5-one|3,4,6-Trihydroxy-1,8-bis[[(2R)-3,4-dihydro-3alpha-galloyloxy-5,7-dihydroxy-2H-1-benzopyran]-2alpha-yl]-5H-benzocycloheptene-5-one|3,4,6-Trihydroxy-1,8-bis[[(2R)-3,4-dihydro-5,7-dihydroxy-3alpha-(3,4,5-trihydroxybenzoyloxy)-2H-1-benzopyran]-2alpha-yl]-5H-benzocycloheptene-5-one|N/A

Molecular Formula	C43H32O20
Molecular Weight	868.1487 g/mol
LogP	3.0
Topological Polar Surface Area	351.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	20
Rotatable Bonds	8
Exact Mass	868.1487
Monoisotopic Mass	868.1487
Heavy Atoms	63
Complexity	1950.0

Chemical Identifiers

CAS Number	33377-72-9
SMILES	C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=O)C(=C4C(=C3)C(=CC(=C4O)O)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
InChIKey	ZEASWHWETFMWCV-ISBUVJFSSA-N