{"ymdb_id":"YMDB01779","created_at":"2011-08-31T03:44:31.000Z","updated_at":"2016-09-12T20:54:26.000Z","name":"Quercetin 3-O-glucuronide","cas":"22688-79-5","state":"Solid","melting_point":null,"description":"Quercetin 3-O-glucuronide is the 3-glucuronide of the flavonol quercetin, a type of polyphenol. Polyphenol are secondary plant metabolites and components of grapes, wines and beers. They contribute to the sensory characteristics of wine. Yeast can influence the polyphenolic wine composition by adsorbing them throught its cell wall during wine making. [Caridi 2004]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"24844896","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,3S,4S,5R)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid","traditional_iupac":"(2S,3S,4S,5R)-6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid","logp":"0.17543924199999955","pka":"6.434034489349343","alogps_solubility":"2.40e+00 g/l","alogps_logp":"1.37","alogps_logs":"-2.30","acceptor_count":"13","donor_count":"8","rotatable_bond_count":"4","polar_surface_area":"223.66999999999996","refractivity":"109.1429","polarizability":"43.591548437500364","formal_charge":"0","physiological_charge":"-2","pka_strongest_basic":"-3.7319986993890746","pka_strongest_acidic":"2.6505625708891305","bioavailability":"0","number_of_rings":"4","rule_of_five":"0","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["Quercetol glucuronide"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}