1.0 2010-04-08 22:13:53 UTC 2019-11-26 03:16:31 UTC FDB018706 1,2-Digalloyl-beta-D-glucopyranose Isolated from Rheum species 1,2-Digalloyl-beta-D-glucopyranose is found in green vegetables. C20H20O14 484.3644 484.085305348 4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate 4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate 115713-50-3 OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O InChI=1S/C20H20O14/c21-5-12-15(28)16(29)17(33-18(30)6-1-8(22)13(26)9(23)2-6)20(32-12)34-19(31)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-29H,5H2 FNEQBVHIJSMWKC-UHFFFAOYSA-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Dicarboxylic acids and derivatives Galloyl esters Hexoses Hydrocarbon derivatives Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Gallic acid or derivatives Galloyl ester Hexose monosaccharide 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 Primary alcohol Pyrogallol derivative Secondary alcohol Tannin logp 0.76 ALOGPS logs -2.29 ALOGPS solubility 2.49e+00 g/l ALOGPS melting_point Mp 169-170° logp 0.24 ChemAxon pka_strongest_acidic 7.79 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate ChemAxon average_mass 484.3644 ChemAxon mono_mass 484.085305348 ChemAxon smiles OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O ChemAxon formula C20H20O14 ChemAxon inchi InChI=1S/C20H20O14/c21-5-12-15(28)16(29)17(33-18(30)6-1-8(22)13(26)9(23)2-6)20(32-12)34-19(31)7-3-10(24)14(27)11(25)4-7/h1-4,12,15-17,20-29H,5H2 ChemAxon inchikey FNEQBVHIJSMWKC-UHFFFAOYSA-N ChemAxon polar_surface_area 243.9 ChemAxon refractivity 107.45 ChemAxon polarizability 44.83 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22681 Specdb::CMs 46305 Specdb::CMs 151561 Specdb::CMs 163228 Specdb::CMs 280451 Specdb::MsMs 73992 Specdb::MsMs 73993 Specdb::MsMs 73994 Specdb::MsMs 133260 Specdb::MsMs 133261 Specdb::MsMs 133262 Specdb::MsMs 2460877 Specdb::MsMs 2460878 Specdb::MsMs 2460879 Specdb::MsMs 2478533 Specdb::MsMs 2478534 Specdb::MsMs 2478535 HMDB39178 #<Reference:0x000055ce315e3260> Green vegetables Unknown generic