1.0 2019-10-16 14:43:27 UTC 2019-10-16 14:43:27 UTC FDB093767 Urolithin a 8-glucuronide C19H16O10 404.327 404.074346715 (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({3-hydroxy-6-oxo-6H-benzo[c]chromen-8-yl}oxy)oxane-2-carboxylic acid (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({3-hydroxy-6-oxobenzo[c]chromen-8-yl}oxy)oxane-2-carboxylic acid [H][C@@]1(OC2=CC3=C(C=C2)C2=C(OC3=O)C=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C19H16O10/c20-7-1-3-10-9-4-2-8(6-11(9)18(26)28-12(10)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1 QMPHAAMUHRNZSL-KSPMYQCISA-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-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 2-benzopyrans Acetals Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Coumarins and derivatives Heteroaromatic compounds Hydrocarbon derivatives Isocoumarins and derivatives Lactones Monocarboxylic acids and derivatives Monosaccharides O-glucuronides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Pyranones and derivatives Secondary alcohols 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-o-glucuronide 2-benzopyran Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Coumarin Glucuronic acid or derivatives Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Isocoumarin Lactone Monocarboxylic acid or derivatives Monosaccharide O-glucuronide O-glycosyl compound Organic oxide Organoheterocyclic compound Oxacycle Oxane Phenolic glycoside Polyol Pyran Pyranone Secondary alcohol logp 0.55 ALOGPS logs -2.33 ALOGPS solubility 1.89e+00 g/l ALOGPS logp 0.37 ChemAxon pka_strongest_acidic 3.06 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({3-hydroxy-6-oxo-6H-benzo[c]chromen-8-yl}oxy)oxane-2-carboxylic acid ChemAxon average_mass 404.327 ChemAxon mono_mass 404.074346715 ChemAxon smiles [H][C@@]1(OC2=CC3=C(C=C2)C2=C(OC3=O)C=C(O)C=C2)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C19H16O10 ChemAxon inchi InChI=1S/C19H16O10/c20-7-1-3-10-9-4-2-8(6-11(9)18(26)28-12(10)5-7)27-19-15(23)13(21)14(22)16(29-19)17(24)25/h1-6,13-16,19-23H,(H,24,25)/t13-,14-,15+,16-,19+/m0/s1 ChemAxon inchikey QMPHAAMUHRNZSL-KSPMYQCISA-N ChemAxon polar_surface_area 162.98 ChemAxon refractivity 92.91 ChemAxon polarizability 37.89 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 2766167 Specdb::MsMs 2766168 Specdb::MsMs 2766169 Specdb::MsMs 2943625 Specdb::MsMs 2943626 Specdb::MsMs 2943627 Specdb::CMs 130666 Specdb::CMs 138400 FOBI:08707