1.0 2016-09-30 22:53:29 UTC 2020-04-22 15:10:28 UTC BMDB0002276 BMDB02276 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-Hex-1-enitol N-[(2R,3S,4R)-3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]ethanimidate O-6-Deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol O-6-Deoxy-α-L-galactopyranosyl-(1->2)-O-β-D-galactopyranosyl-(1->4)-2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol C20H33NO14 511.4743 511.190104769 N-[(2R,3S,4R)-3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide N-[(4R,5S,6R)-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-5,6-dihydro-4H-pyran-3-yl]acetamide 868264-22-6 C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)OC=C(NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)13(27)9(3-22)33-20(18)34-17-10(4-23)31-5-8(12(17)26)21-7(2)24/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1 HNYYHAIRGRIQQX-JGMDXMHSSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates O-glycosyl compounds Acetals Acetamides Carbonyl compounds Disaccharides Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Acetamide Alcohol Aliphatic heteromonocyclic compound Carbonyl group Carboxamide group Carboxylic acid derivative Disaccharide Hydrocarbon derivative O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic heteromonocyclic compounds Solid logp -2.06 ALOGPS logs -0.56 ALOGPS logp -5.6 ChemAxon pka_strongest_acidic 12.04 ChemAxon pka_strongest_basic -3 ChemAxon iupac N-[(2R,3S,4R)-3-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-5-yl]acetamide ChemAxon average_mass 511.4743 ChemAxon mono_mass 511.190104769 ChemAxon smiles C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](CO)OC=C(NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O ChemAxon formula C20H33NO14 ChemAxon inchi InChI=1S/C20H33NO14/c1-6-11(25)14(28)16(30)19(32-6)35-18-15(29)13(27)9(3-22)33-20(18)34-17-10(4-23)31-5-8(12(17)26)21-7(2)24/h5-6,9-20,22-23,25-30H,3-4H2,1-2H3,(H,21,24)/t6-,9+,10+,11+,12+,13-,14+,15-,16-,17+,18+,19-,20-/m0/s1 ChemAxon inchikey HNYYHAIRGRIQQX-JGMDXMHSSA-N ChemAxon polar_surface_area 237.09 ChemAxon refractivity 110.06 ChemAxon polarizability 49.14 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 14 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 12106 Specdb::CMs 38350 Specdb::CMs 173107 Specdb::CMs 173109 Specdb::CMs 173112 Specdb::CMs 173113 Specdb::CMs 173116 Specdb::CMs 173118 Specdb::CMs 173120 Specdb::CMs 173122 Specdb::CMs 173125 Specdb::CMs 173127 Specdb::CMs 173129 Specdb::CMs 173131 Specdb::CMs 173134 Specdb::CMs 173136 Specdb::CMs 173138 Specdb::CMs 173140 Specdb::CMs 173142 Specdb::CMs 173144 Specdb::CMs 173146 Specdb::CMs 173149 Specdb::CMs 173151 Specdb::CMs 173153 Specdb::CMs 173155 Specdb::MsMs 292657 Specdb::MsMs 292658 Specdb::MsMs 292659 Specdb::MsMs 332926 Specdb::MsMs 332927 Specdb::MsMs 332928 Specdb::MsMs 2792318 Specdb::MsMs 2792319 Specdb::MsMs 2792320 Specdb::MsMs 2917400 Specdb::MsMs 2917401 Specdb::MsMs 2917402 Specdb::NmrOneD 115898 Specdb::NmrOneD 115899 Specdb::NmrOneD 115900 Specdb::NmrOneD 115901 Specdb::NmrOneD 115902 Specdb::NmrOneD 115903 Specdb::NmrOneD 115904 Specdb::NmrOneD 115905 Specdb::NmrOneD 115906 Specdb::NmrOneD 115907 Specdb::NmrOneD 115908 Specdb::NmrOneD 115909 Specdb::NmrOneD 115910 Specdb::NmrOneD 115911 Specdb::NmrOneD 115912 Specdb::NmrOneD 115913 Specdb::NmrOneD 115914 Specdb::NmrOneD 115915 Specdb::NmrOneD 115916 Specdb::NmrOneD 115917 FDB022941 17216179 22833591