{"ymdb_id":"YMDB01771","created_at":"2011-08-31T03:43:51.000Z","updated_at":"2016-09-08T18:37:06.000Z","name":"Petunidin 3-O-(acetylglucoside)","cas":null,"state":null,"melting_point":null,"description":"Petunidin 3-O-(acetylglucoside) 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":null,"pubchem_id":null,"cs_id":"24842403","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium","traditional_iupac":"3-{[(2S,3R,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium","logp":"0.5633999999999995","pka":"7.542558714970716","alogps_solubility":"3.80e-01 g/l","alogps_logp":"1.85","alogps_logs":"-3.17","acceptor_count":"12","donor_count":"7","rotatable_bond_count":"7","polar_surface_area":"208.73999999999998","refractivity":"131.87219999999996","polarizability":"50.16309390264958","formal_charge":"1","physiological_charge":"0","pka_strongest_basic":"-3.649102880226849","pka_strongest_acidic":"6.394358832746607","bioavailability":"0","number_of_rings":"4","rule_of_five":"0","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"1","synonyms":[],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}