1.0 2020-03-10 17:02:01 UTC 2020-04-22 18:56:22 UTC BMDB0096150 BMDB96150 Nephritogenoside Nephritogenic glycopeptide Nephritogenoside protein, human Nephritogenoside protein, rat Nephritogenic glycoprotein, human Nephritogenic glycoprotein, rat Nephritogenic glycoprotein Nephritogenic glycoprotein, mouse Nephritogenoside protein, mouse Nephritogenoside C18H32O16 504.4371 504.169034976 (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexanal (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexanal 81276-22-4 OC[C@H]1OC(OC[C@H]2O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18?/m0/s1 FZWBNHMXJMCXLU-BCGMDATISA-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 Acetals Alkyl glycosides Alpha-hydroxyaldehydes Beta-hydroxy aldehydes Disaccharides Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Alpha-hydroxyaldehyde Beta-hydroxy aldehyde Carbonyl group Disaccharide Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hydrocarbon derivative O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds logp -2.86 ALOGPS logs -0.33 ALOGPS logp -7.1 ChemAxon pka_strongest_acidic 11.78 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}hexanal ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OC[C@H]1OC(OC[C@H]2O[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-5(21)9(23)10(24)6(22)3-31-17-16(30)14(28)12(26)8(34-17)4-32-18-15(29)13(27)11(25)7(2-20)33-18/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18?/m0/s1 ChemAxon inchikey FZWBNHMXJMCXLU-BCGMDATISA-N ChemAxon polar_surface_area 276.52 ChemAxon refractivity 102.17 ChemAxon polarizability 45.97 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 2 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 315985 Specdb::MsMs 315986 Specdb::MsMs 315987 Specdb::MsMs 362116 Specdb::MsMs 362117 Specdb::MsMs 362118 Specdb::MsMs 2329098 Specdb::MsMs 2329099 Specdb::MsMs 2329100 Specdb::MsMs 2636071 Specdb::MsMs 2636072 Specdb::MsMs 2636073 Specdb::CMs 22493 Specdb::CMs 47630 Specdb::NmrOneD 50862 Specdb::NmrOneD 50863 Specdb::NmrOneD 50864 Specdb::NmrOneD 50865 Specdb::NmrOneD 50866 Specdb::NmrOneD 50867 Specdb::NmrOneD 50868 Specdb::NmrOneD 50869 Specdb::NmrOneD 50870 Specdb::NmrOneD 50871 Specdb::NmrOneD 50872 Specdb::NmrOneD 50873 Specdb::NmrOneD 50874 Specdb::NmrOneD 50875 Specdb::NmrOneD 50876 Specdb::NmrOneD 50877 Specdb::NmrOneD 50878 Specdb::NmrOneD 50879 Specdb::NmrOneD 50880 Specdb::NmrOneD 50881 108777 FDB111684 175877 121932