1.0 2010-04-08 22:14:00 UTC 2025-11-19 02:15:24 UTC FDB018878 Gallic acid 3-O-(6-galloylglucoside) Isolated from commercial rhubarb and from the underground part of great burnet (Sanguisorba officinalis). Gallic acid 3-O-(6-galloylglucoside) is found in tea, herbs and spices, and green vegetables. Gallic acid 3-O-(6-galloylglucoside) C20H20O14 484.3644 484.085305348 3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid 3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid 87087-61-4 OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O InChI=1S/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30) NRQUZRZEYPSZEY-UHFFFAOYSA-N belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit. Hydrolyzable tannins Organic compounds Phenylpropanoids and polyketides Tannins Hydrolyzable tannins Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoic acids Benzoyl derivatives Carboxylic acid esters Carboxylic acids Catechols Dicarboxylic acids and derivatives Galloyl esters Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Pyrogallols and derivatives Secondary alcohols Sugar acids and derivatives 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 Benzoic acid or derivatives Benzoyl Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Dicarboxylic acid or derivatives Dihydroxybenzoic acid Gallic acid or derivatives Galloyl ester Glycosyl compound Hydrocarbon derivative Hydrolyzable tannin Hydroxybenzoic acid M-hydroxybenzoic acid ester Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyrogallol derivative Secondary alcohol Sugar acid logp 0.51 ALOGPS logs -2.38 ALOGPS solubility 2.00e+00 g/l ALOGPS melting_point Mp 261-263° dec. logp 0.037 ChemAxon pka_strongest_acidic 3.93 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 3,4-dihydroxy-5-({3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyloxy)methyl]oxan-2-yl}oxy)benzoic acid ChemAxon average_mass 484.3644 ChemAxon mono_mass 484.085305348 ChemAxon smiles OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC(=CC(O)=C2O)C(O)=O)C1O ChemAxon formula C20H20O14 ChemAxon inchi InChI=1S/C20H20O14/c21-8-2-7(3-9(22)13(8)24)19(31)32-5-12-15(26)16(27)17(28)20(34-12)33-11-4-6(18(29)30)1-10(23)14(11)25/h1-4,12,15-17,20-28H,5H2,(H,29,30) ChemAxon inchikey NRQUZRZEYPSZEY-UHFFFAOYSA-N ChemAxon polar_surface_area 243.9 ChemAxon refractivity 107.17 ChemAxon polarizability 43.6 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 13 ChemAxon donor_count 9 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23978 Specdb::CMs 46363 Specdb::CMs 164675 Specdb::MsMs 49989 Specdb::MsMs 49990 Specdb::MsMs 49991 Specdb::MsMs 175023 Specdb::MsMs 175024 Specdb::MsMs 175025 Specdb::MsMs 3053717 Specdb::MsMs 3053718 Specdb::MsMs 3053719 Specdb::MsMs 3116934 Specdb::MsMs 3116935 Specdb::MsMs 3116936 HMDB39325 #<Reference:0x000055ce33598718> Black tea Type 1 Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442