1.0 2010-04-08 22:07:19 UTC 2025-11-18 23:02:54 UTC FDB006845 6-O-Galloylglucose 6-o-galloylglucose is a member of the class of compounds known as galloyl esters. Galloyl esters are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. 6-o-galloylglucose is soluble (in water) and a very weakly acidic compound (based on its pKa). 6-o-galloylglucose can be found in garden rhubarb, which makes 6-o-galloylglucose a potential biomarker for the consumption of this food product. 6-O-galloylglucose C13H16O10 332.2601 332.074346732 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate O[C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13-/m1/s1 VGVDLJNNDOFWKT-JEUROIALSA-N belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Galloyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Hemiacetals Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Oxacyclic compounds Oxanes Polyols Pyrogallols and derivatives Secondary alcohols m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Galloyl ester Hemiacetal Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives 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 gallate ester galloyl beta-D-glucose logp -1.29 ALOGPS logs -1.23 ALOGPS solubility 1.94e+01 g/l ALOGPS logp -1.3 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 332.2601 ChemAxon mono_mass 332.074346732 ChemAxon smiles O[C@@H]1O[C@H](COC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C13H16O10 ChemAxon inchi InChI=1S/C13H16O10/c14-5-1-4(2-6(15)8(5)16)12(20)22-3-7-9(17)10(18)11(19)13(21)23-7/h1-2,7,9-11,13-19,21H,3H2/t7-,9-,10+,11-,13-/m1/s1 ChemAxon inchikey VGVDLJNNDOFWKT-JEUROIALSA-N ChemAxon polar_surface_area 177.14 ChemAxon refractivity 71.69 ChemAxon polarizability 30.6 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 81564 Specdb::MsMs 81565 Specdb::MsMs 81566 Specdb::MsMs 142695 Specdb::MsMs 142696 Specdb::MsMs 142697 Specdb::MsMs 3603380 Specdb::MsMs 3603381 Specdb::MsMs 3603382 Specdb::MsMs 3603383 Specdb::MsMs 3603384 Specdb::MsMs 3603385 Garden rhubarb Type 1 specific Rheum rhabarbarum 3621