1.0 2010-04-08 22:13:53 UTC 2019-11-26 03:16:33 UTC FDB018722 6-Cinnamoyl-1,2-digalloylglucose Isolated from commercial rhubarbs (Rheum subspecies). 6-Cinnamoyl-1,2-digalloylglucose is found in green vegetables. 6-Cinnamoyl-1,2-digalloylglucose C29H26O15 614.5077 614.127170162 4,5-dihydroxy-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate 4,5-dihydroxy-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate 115746-70-8 OC1C(COC(=O)\C=C\C2=CC=CC=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/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)43-26-25(38)24(37)20(12-41-21(34)7-6-13-4-2-1-3-5-13)42-29(26)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+ QAVVLMYACCQGJA-VOTSOKGWSA-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 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 Enoate ester Fatty acid ester Fatty acyl Gallic acid or derivatives Galloyl ester Hydrocarbon derivative 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 3.03 ALOGPS logs -3.21 ALOGPS solubility 3.76e-01 g/l ALOGPS logp 3.27 ChemAxon pka_strongest_acidic 7.79 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4,5-dihydroxy-6-({[(2E)-3-phenylprop-2-enoyl]oxy}methyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 614.5077 ChemAxon mono_mass 614.127170162 ChemAxon smiles OC1C(COC(=O)\C=C\C2=CC=CC=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 C29H26O15 ChemAxon inchi InChI=1S/C29H26O15/c30-16-8-14(9-17(31)22(16)35)27(39)43-26-25(38)24(37)20(12-41-21(34)7-6-13-4-2-1-3-5-13)42-29(26)44-28(40)15-10-18(32)23(36)19(33)11-15/h1-11,20,24-26,29-33,35-38H,12H2/b7-6+ ChemAxon inchikey QAVVLMYACCQGJA-VOTSOKGWSA-N ChemAxon polar_surface_area 249.97 ChemAxon refractivity 147.02 ChemAxon polarizability 59.67 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21224 Specdb::CMs 46312 Specdb::CMs 530651 Specdb::CMs 530652 Specdb::CMs 530653 Specdb::CMs 530654 Specdb::CMs 530655 Specdb::CMs 530656 Specdb::CMs 530657 Specdb::CMs 530658 Specdb::CMs 530659 Specdb::CMs 530660 Specdb::CMs 530661 Specdb::CMs 530662 Specdb::CMs 530663 Specdb::CMs 530664 Specdb::CMs 530665 Specdb::CMs 530666 Specdb::CMs 530667 Specdb::CMs 530668 Specdb::CMs 530669 Specdb::CMs 530670 Specdb::CMs 530671 Specdb::CMs 530672 Specdb::CMs 530673 Specdb::MsMs 83907 Specdb::MsMs 83908 Specdb::MsMs 83909 Specdb::MsMs 145617 Specdb::MsMs 145618 Specdb::MsMs 145619 Specdb::MsMs 2314424 Specdb::MsMs 2314425 Specdb::MsMs 2314426 Specdb::MsMs 2621384 Specdb::MsMs 2621385 Specdb::MsMs 2621386 HMDB39194 #<Reference:0x000055ce3300c3a8> Green vegetables Unknown generic