1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:30 UTC FDB018697 6-O-p-Coumaroyl-1,2-digalloylglucose Isolated from various commercial rhubarbs. 6-O-p-Coumaroyl-1,2-digalloylglucose is found in green vegetables. 6-O-p-Coumaroyl-1,2-digalloylglucose C29H26O16 630.5071 630.122084784 4,5-dihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate 4,5-dihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+ QDSDUIWGMCGLHI-ZZXKWVIFSA-N belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol). Tannins Organic compounds Phenylpropanoids and polyketides Tannins Aromatic heteromonocyclic compounds 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carbonyl compounds Cinnamic acid esters Coumaric acid esters Coumaric acids and derivatives Enoate esters Fatty acid esters Galloyl esters Hydrocarbon derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Pyrogallols and derivatives Secondary alcohols Styrenes Tricarboxylic acids and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1,2-diol 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alpha,beta-unsaturated carboxylic ester Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cinnamic acid ester Cinnamic acid or derivatives Coumaric acid ester Coumaric acid or derivatives Enoate ester Fatty acid ester Fatty acyl Gallic acid or derivatives Galloyl ester Hydrocarbon derivative Hydroxycinnamic acid or derivatives M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol Styrene Tannin Tricarboxylic acid or derivatives logp 2.63 ALOGPS logs -3.20 ALOGPS solubility 4.01e-01 g/l ALOGPS logp 2.97 ChemAxon pka_strongest_acidic 7.78 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4,5-dihydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 630.5071 ChemAxon mono_mass 630.122084784 ChemAxon smiles OC1C(COC(=O)\C=C\C2=CC=C(O)C=C2)OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C1O ChemAxon formula C29H26O16 ChemAxon inchi InChI=1S/C29H26O16/c30-15-4-1-12(2-5-15)3-6-21(35)42-11-20-24(38)25(39)26(44-27(40)13-7-16(31)22(36)17(32)8-13)29(43-20)45-28(41)14-9-18(33)23(37)19(34)10-14/h1-10,20,24-26,29-34,36-39H,11H2/b6-3+ ChemAxon inchikey QDSDUIWGMCGLHI-ZZXKWVIFSA-N ChemAxon polar_surface_area 270.2 ChemAxon refractivity 149 ChemAxon polarizability 60.73 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 74991 Specdb::MsMs 74992 Specdb::MsMs 74993 Specdb::MsMs 134535 Specdb::MsMs 134536 Specdb::MsMs 134537 Specdb::MsMs 2341242 Specdb::MsMs 2341243 Specdb::MsMs 2341244 Specdb::MsMs 2594125 Specdb::MsMs 2594126 Specdb::MsMs 2594127 Specdb::CMs 10474 Specdb::CMs 583003 Specdb::CMs 583004 Specdb::CMs 583005 Specdb::CMs 583006 Specdb::CMs 583007 Specdb::CMs 583008 Specdb::CMs 583009 Specdb::CMs 583010 Specdb::CMs 583011 Specdb::CMs 583012 Specdb::CMs 583013 Specdb::CMs 583014 Specdb::CMs 583015 Specdb::CMs 583016 Specdb::CMs 583017 Specdb::CMs 583018 Specdb::CMs 583019 Specdb::CMs 583020 Specdb::CMs 583021 Specdb::CMs 583022 Specdb::CMs 583023 Specdb::CMs 583024 Specdb::CMs 583025 Specdb::CMs 583026 HMDB39170 #<Reference:0x000055ce32c77558> Green vegetables Unknown generic