1.0 2010-04-08 22:11:44 UTC 2025-11-19 00:53:32 UTC FDB015254 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) Constituent of the fruit of allspice (Pimenta dioica). 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) is found in herbs and spices. 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-(galloyl-glucoside) 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-[(3,4,5-trihydroxybenzoyl)(->6)-b-D-glucopyranoside] 3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol 2-O-[galloyl(->6)-b-D-glucopyranoside] C23H28O13 512.4606 512.152990982 (3,4,5-trihydroxy-6-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate (3,4,5-trihydroxy-6-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate 95-01-2 COC1=C(O)C=CC(CC(CO)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1 InChI=1S/C23H28O13/c1-33-16-5-10(2-3-13(16)25)4-12(8-24)35-23-21(31)20(30)19(29)17(36-23)9-34-22(32)11-6-14(26)18(28)15(27)7-11/h2-3,5-7,12,17,19-21,23-31H,4,8-9H2,1H3 DNVSCVOVXAMHOG-UHFFFAOYSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Phenolic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds 1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alpha amino acids Amino acids Azacyclic compounds Carboxylic acid esters Carboxylic acids Dialkylamines Enamines Hydrocarbon derivatives Indoles and derivatives Monosaccharides O-glycosyl compounds Organic cations Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Secondary alcohols Shiff bases Tetracarboxylic acids and derivatives Tetrahydropyridines 1,3-dicarbonyl compound 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alpha-amino acid Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Enamine Hydrocarbon derivative Hydropyridine Indole or derivatives Monosaccharide O-glycosyl compound Organic cation Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenolic glycoside Polyol Secondary alcohol Secondary aliphatic amine Secondary amine Shiff base Tetracarboxylic acid or derivatives Tetrahydropyridine logp 0.09 ALOGPS logs -2.74 ALOGPS solubility 9.23e-01 g/l ALOGPS logp 0.22 ChemAxon pka_strongest_acidic 8.1 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac (3,4,5-trihydroxy-6-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}oxan-2-yl)methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 512.4606 ChemAxon mono_mass 512.152990982 ChemAxon smiles COC1=C(O)C=CC(CC(CO)OC2OC(COC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)=C1 ChemAxon formula C23H28O13 ChemAxon inchi InChI=1S/C23H28O13/c1-33-16-5-10(2-3-13(16)25)4-12(8-24)35-23-21(31)20(30)19(29)17(36-23)9-34-22(32)11-6-14(26)18(28)15(27)7-11/h2-3,5-7,12,17,19-21,23-31H,4,8-9H2,1H3 ChemAxon inchikey DNVSCVOVXAMHOG-UHFFFAOYSA-N ChemAxon polar_surface_area 215.83 ChemAxon refractivity 120.21 ChemAxon polarizability 49.26 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21049 Specdb::CMs 44840 Specdb::MsMs 100239 Specdb::MsMs 100240 Specdb::MsMs 100241 Specdb::MsMs 165504 Specdb::MsMs 165505 Specdb::MsMs 165506 Specdb::MsMs 2823179 Specdb::MsMs 2823180 Specdb::MsMs 2823181 Specdb::MsMs 2858978 Specdb::MsMs 2858979 Specdb::MsMs 2858980 HMDB36376 #<Reference:0x000055ce31f49750> Herbs and Spices Unknown generic