1.0 2010-04-08 22:12:39 UTC 2025-11-19 01:49:47 UTC FDB016788 Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin 3,3',3''-trigallate Isolated from Rheum species Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin 3,3',3''-trigallate is found in green vegetables. 3-O-Galloylepicatechin-(4beta->6)-3-O-galloylepicatechin-(4beta->8)-epicatechin-3-O-gallate Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin 3,3',3''-trigallate C66H50O30 1323.0852 1322.23869026 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-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 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-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 106533-64-6 OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C(O)C2=C(OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2C2=C(O)C=C(O)C3=C2OC(C(C3)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C=C2)C2=CC(O)=C(O)C=C2)C=C1O InChI=1S/C66H50O30/c67-27-16-36(75)48-45(17-27)91-59(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-41(80)55(85)42(81)13-25)52(48)49-38(77)20-46-51(57(49)87)53(63(60(92-46)23-3-6-31(70)35(74)9-23)96-66(90)26-14-43(82)56(86)44(83)15-26)50-37(76)19-32(71)28-18-47(93-64(88)24-10-39(78)54(84)40(79)11-24)58(94-61(28)50)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,58-60,62-63,67-87H,18H2 MHDUITHKUVVZLK-UHFFFAOYSA-N belongs to the class of organic compounds known as biflavonoids and polyflavonoids. These are organic compounds containing at least two flavan/flavone units. These units are usually linked through CC or C-O-C bonds. Some examples include C2-O-C3, C2-O-C4, C3'-C3''', and C6-C8''. Biflavonoids and polyflavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids Biflavonoids and polyflavonoids Aromatic heteropolycyclic compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Alkyl aryl ethers B-type proanthocyanidins Benzoyl derivatives Carboxylic acid esters Catechin gallates Catechols Galloyl esters Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives Tricarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Alkyl aryl ether Aromatic heteropolycyclic compound B-type proanthocyanidin Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzopyran Benzoyl Bi- and polyflavonoid skeleton Carboxylic acid derivative Carboxylic acid ester Catechin Catechin gallate Catechol Chromane Ether Flavan Flavan-3-ol Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxyflavonoid M-hydroxybenzoic acid ester Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Proanthocyanidin Pyrogallol derivative Tricarboxylic acid or derivatives logp 4.62 ALOGPS logs -3.53 ALOGPS solubility 3.90e-01 g/l ALOGPS logp 9.19 ChemAxon pka_strongest_acidic 7.64 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-8-yl]-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 ChemAxon average_mass 1323.0852 ChemAxon mono_mass 1322.23869026 ChemAxon smiles OC1=CC(O)=C2C(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1)C1=C(O)C2=C(OC(C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C2C2=C(O)C=C(O)C3=C2OC(C(C3)OC(=O)C2=CC(O)=C(O)C(O)=C2)C2=CC(O)=C(O)C=C2)C2=CC(O)=C(O)C=C2)C=C1O ChemAxon formula C66H50O30 ChemAxon inchi InChI=1S/C66H50O30/c67-27-16-36(75)48-45(17-27)91-59(22-2-5-30(69)34(73)8-22)62(95-65(89)25-12-41(80)55(85)42(81)13-25)52(48)49-38(77)20-46-51(57(49)87)53(63(60(92-46)23-3-6-31(70)35(74)9-23)96-66(90)26-14-43(82)56(86)44(83)15-26)50-37(76)19-32(71)28-18-47(93-64(88)24-10-39(78)54(84)40(79)11-24)58(94-61(28)50)21-1-4-29(68)33(72)7-21/h1-17,19-20,47,52-53,58-60,62-63,67-87H,18H2 ChemAxon inchikey MHDUITHKUVVZLK-UHFFFAOYSA-N ChemAxon polar_surface_area 531.42 ChemAxon refractivity 326.31 ChemAxon polarizability 126.16 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 27 ChemAxon donor_count 21 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 85425 Specdb::MsMs 85426 Specdb::MsMs 85427 Specdb::MsMs 147522 Specdb::MsMs 147523 Specdb::MsMs 147524 Specdb::MsMs 2458840 Specdb::MsMs 2458841 Specdb::MsMs 2458842 Specdb::MsMs 2476817 Specdb::MsMs 2476818 Specdb::MsMs 2476819 HMDB37664 #<Reference:0x000055ce3073be10> Green vegetables Unknown generic