{"ymdb_id":"YMDB01640","created_at":"2011-08-31T03:31:08.000Z","updated_at":"2016-09-08T18:36:56.000Z","name":"Astringin","cas":"29884-49-9","state":null,"melting_point":null,"description":"Astringin is a stilbenoid which can be found in wine.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":"C10245","pubchem_id":"5089891","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2S,3R,4S,5S,6R)-2-{3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol","traditional_iupac":"astringin","logp":"0.8307574713333334","pka":"9.096600192142327","alogps_solubility":"7.35e-01 g/l","alogps_logp":"0.44","alogps_logs":"-2.74","acceptor_count":"9","donor_count":"7","rotatable_bond_count":"5","polar_surface_area":"160.07","refractivity":"101.58080000000001","polarizability":"40.838151086985405","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.981092343730565","pka_strongest_acidic":"8.492505059442484","bioavailability":"1","number_of_rings":"3","rule_of_five":"0","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["(e)-Astringin","3,4,3',5'-Tetrahydroxystilbene 3'-glucoside","Piceatannol 3-b-D-glucoside","Piceatannol 3-b-glucoside","Piceatannol 3-beta-D-glucoside","Piceatannol 3-beta-glucoside","Piceatannol 3-O-b-D-glucoside","Piceatannol 3-O-beta-D-glucoside","Piceatannol 3-O-β-D-glucoside","Piceatannol 3-β-D-glucoside","Piceatannol 3-β-glucoside","trans-Astringin"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}