1.0 2010-04-08 22:13:53 UTC 2025-11-19 02:13:41 UTC FDB018708 Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside Gallotannin from Sanguisorba officinalis (burnet bloodwort). Methyl 4,6-di-O-galloyl-beta-D-glucopyranoside is found in tea and herbs and spices. Methyl 4,6-di-O-galloyl-b-D-glucopyranoside C21H22O14 498.391 498.100955412 [4,5-dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate [4,5-dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate 88847-08-9 COC1OC(COC(=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/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3 BTSUIPCMGZHMNV-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 1,2-diols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Benzoyl derivatives Carboxylic acid esters Dicarboxylic acids and derivatives Galloyl esters Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1,2-diol 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 Glycosyl compound Hydrocarbon derivative 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 Polyol Pyrogallol derivative Secondary alcohol Tannin logp 1.01 ALOGPS logs -2.41 ALOGPS solubility 1.92e+00 g/l ALOGPS logp 0.88 ChemAxon pka_strongest_acidic 7.8 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac [4,5-dihydroxy-6-methoxy-3-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 498.391 ChemAxon mono_mass 498.100955412 ChemAxon smiles COC1OC(COC(=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 C21H22O14 ChemAxon inchi InChI=1S/C21H22O14/c1-32-21-17(29)16(28)18(35-20(31)8-4-11(24)15(27)12(25)5-8)13(34-21)6-33-19(30)7-2-9(22)14(26)10(23)3-7/h2-5,13,16-18,21-29H,6H2,1H3 ChemAxon inchikey BTSUIPCMGZHMNV-UHFFFAOYSA-N ChemAxon polar_surface_area 232.9 ChemAxon refractivity 112.2 ChemAxon polarizability 46.61 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12412 Specdb::CMs 46307 Specdb::CMs 134755 Specdb::CMs 142489 Specdb::CMs 167529 Specdb::CMs 280617 Specdb::MsMs 45852 Specdb::MsMs 45853 Specdb::MsMs 45854 Specdb::MsMs 133281 Specdb::MsMs 133282 Specdb::MsMs 133283 Specdb::MsMs 2455474 Specdb::MsMs 2455475 Specdb::MsMs 2455476 Specdb::MsMs 2480170 Specdb::MsMs 2480171 Specdb::MsMs 2480172 HMDB39180 #<Reference:0x000055ce31ccb578> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442