1.0 2016-10-03 18:34:17 UTC 2020-04-22 15:49:04 UTC BMDB0012214 BMDB12214 Dihydrozeatin-O-glucoside C16H25N5O6 383.3996 383.180483557 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-methyl-4-[(9H-purin-6-yl)amino]butoxy}oxane-3,4,5-triol (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-methyl-4-(9H-purin-6-ylamino)butoxy]oxane-3,4,5-triol CC(CCNC1=NC=NC2=C1N=CN2)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C16H25N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h6-9,11-13,16,22-25H,2-5H2,1H3,(H2,17,18,19,20,21)/t8?,9-,11-,12+,13-,16+/m1/s1 QRZHDHJUYBONQQ-CLORPHGJSA-N belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides 6-alkylaminopurines Acetals Alkyl glycosides Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Imidazoles Imidolactams Monosaccharides O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary alkylarylamines 6-alkylaminopurine 6-aminopurine Acetal Alcohol Alkyl glycoside Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Purine Pyrimidine Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Aromatic heteropolycyclic compounds Solid logp -0.55 ALOGPS logs -1.89 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 9.87 ChemAxon pka_strongest_basic 5.08 ChemAxon iupac (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-{2-methyl-4-[(9H-purin-6-yl)amino]butoxy}oxane-3,4,5-triol ChemAxon average_mass 383.3996 ChemAxon mono_mass 383.180483557 ChemAxon smiles CC(CCNC1=NC=NC2=C1N=CN2)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C16H25N5O6 ChemAxon inchi InChI=1S/C16H25N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-22)27-16/h6-9,11-13,16,22-25H,2-5H2,1H3,(H2,17,18,19,20,21)/t8?,9-,11-,12+,13-,16+/m1/s1 ChemAxon inchikey QRZHDHJUYBONQQ-CLORPHGJSA-N ChemAxon polar_surface_area 165.87 ChemAxon refractivity 94.78 ChemAxon polarizability 39.01 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13720 Specdb::CMs 39868 Specdb::MsMs 296245 Specdb::MsMs 296246 Specdb::MsMs 296247 Specdb::MsMs 337495 Specdb::MsMs 337496 Specdb::MsMs 337497 FDB028859 25200430 CPD-4617