{"ymdb_id":"YMDB01770","created_at":"2011-08-31T03:43:48.000Z","updated_at":"2016-09-08T18:37:06.000Z","name":"Petunidin 3-O-glucoside","cas":"6988-81-4","state":null,"melting_point":null,"description":"Petunidin 3-O-glucoside is an anthocyanin, which is a class of polyphenol. Anthocyanins are plant pigments found in many red berries including grape and grape skin. The cell wall of S. cerevisiae is permeable to anthocyanins and as a consequence the anthocyanins can be retained by yeast during wine-making, which can have an influence on wine color. [PMID: 12822951]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C12139","pubchem_id":"176449","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1λ⁴-chromen-1-ylium chloride","traditional_iupac":"petunidin 3-glucoside chloride","logp":"0.1343000000000003","pka":"7.542558684128934","alogps_solubility":"6.38e-01 g/l","alogps_logp":"0.55","alogps_logs":"-2.91","acceptor_count":"11","donor_count":"8","rotatable_bond_count":"5","polar_surface_area":"202.67","refractivity":"122.72069999999997","polarizability":"45.865922900448886","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.9810923799280262","pka_strongest_acidic":"6.394358831401566","bioavailability":"0","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["Petunidin-3-glucoside"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}