1.0 2010-04-08 22:12:18 UTC 2025-11-19 01:45:23 UTC FDB016209 3,5-Digalloyl-1,4-galactarolactone Constituent of the fruit of emblic (Phyllanthus emblica). 3,5-Digalloyl-1,4-galactarolactone is found in fruits. 3,5-Di-O-galloyl-1,4-galactarolactone 3,5-Digalloyl-1,4-galactarolactone C20H16O15 496.332 496.048919842 2-[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]-2-(3,4,5-trihydroxybenzoyloxy)acetic acid [4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl](3,4,5-trihydroxybenzoyloxy)acetic acid OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O InChI=1S/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)33-14-13(27)20(32)34-15(14)16(17(28)29)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29) DRESSPOLWVWPPB-UHFFFAOYSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Tetracarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Galloyl esters Gamma butyrolactones Hydrocarbon derivatives Organic oxides Oxacyclic compounds Polyols Pyrogallols and derivatives Secondary alcohols Tetrahydrofurans m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carbonyl group Carboxylic acid Carboxylic acid ester Gallic acid or derivatives Galloyl ester Gamma butyrolactone Hydrocarbon derivative Lactone M-hydroxybenzoic acid ester Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative Secondary alcohol Tetracarboxylic acid or derivatives Tetrahydrofuran logp 2.43 ALOGPS logs -2.43 ALOGPS solubility 1.85e+00 g/l ALOGPS logp 0.74 ChemAxon pka_strongest_acidic 2.39 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 2-[4-hydroxy-5-oxo-3-(3,4,5-trihydroxybenzoyloxy)oxolan-2-yl]-2-(3,4,5-trihydroxybenzoyloxy)acetic acid ChemAxon average_mass 496.332 ChemAxon mono_mass 496.048919842 ChemAxon smiles OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC1=O)C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O ChemAxon formula C20H16O15 ChemAxon inchi InChI=1S/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)33-14-13(27)20(32)34-15(14)16(17(28)29)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29) ChemAxon inchikey DRESSPOLWVWPPB-UHFFFAOYSA-N ChemAxon polar_surface_area 257.81 ChemAxon refractivity 106.18 ChemAxon polarizability 43.85 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 50673 Specdb::MsMs 50674 Specdb::MsMs 50675 Specdb::MsMs 136539 Specdb::MsMs 136540 Specdb::MsMs 136541 Specdb::MsMs 2846315 Specdb::MsMs 2846316 Specdb::MsMs 2846317 Specdb::MsMs 2862190 Specdb::MsMs 2862191 Specdb::MsMs 2862192 Specdb::CMs 13718 Specdb::CMs 45265 Specdb::CMs 135407 Specdb::CMs 143141 HMDB37204 #<Reference:0x000055ce321e8b28> Fruits Unknown generic