1.0 2016-10-03 18:22:34 UTC 2020-04-22 15:45:51 UTC BMDB0011668 BMDB11668 6-(alpha-D-Glucosaminyl)-1D-myo-inositol GLUCOSAMINYL-(ALPHA-6)-D-myo-inositol GLUCOSAMINYL-(a-6)-D-myo-inositol GLUCOSAMINYL-(α-6)-D-myo-inositol 6-(a-D-Glucosaminyl)-1D-myo-inositol 6-(Α-D-glucosaminyl)-1D-myo-inositol (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-delta-glucopyranoside 6-O-(2-amino-2-Deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 6-O-(2-amino-2-Deoxy-alpha-delta-glucopyranosyl)-1D-myo-inositol Glucosaminyl-(alpha-6)-delta-myo-inositol MYG C12H23NO10 341.3117 341.132195961 (1R,2R,3R,4R,5S,6R)-6-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol (1R,2R,3R,4R,5S,6R)-6-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1 HEPUIGACZYVUCD-YZRQSVRMSA-N belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aminocyclitol glycosides 1,2-aminoalcohols Acetals Cyclitols and derivatives Cyclohexanols Hydrocarbon derivatives Monoalkylamines Monosaccharides O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols 1,2-aminoalcohol Acetal Alcohol Aliphatic heteromonocyclic compound Amine Amino cyclitol glycoside Cyclic alcohol Cyclitol or derivatives Cyclohexanol Glycosyl compound Hydrocarbon derivative Monosaccharide O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol Aliphatic heteromonocyclic compounds D-glucosaminide monosaccharide derivative Solid logp -2.81 ALOGPS logs 0.05 ALOGPS logp -5.7 ChemAxon pka_strongest_acidic 12.25 ChemAxon pka_strongest_basic 8.13 ChemAxon iupac (1R,2R,3R,4R,5S,6R)-6-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexane-1,2,3,4,5-pentol ChemAxon average_mass 341.3117 ChemAxon mono_mass 341.132195961 ChemAxon smiles N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O ChemAxon formula C12H23NO10 ChemAxon inchi InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1 ChemAxon inchikey HEPUIGACZYVUCD-YZRQSVRMSA-N ChemAxon polar_surface_area 206.32 ChemAxon refractivity 69.85 ChemAxon polarizability 31.59 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 11 ChemAxon donor_count 9 ChemAxon physiological_charge 1 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 263217 Specdb::MsMs 263218 Specdb::MsMs 263219 Specdb::MsMs 283149 Specdb::MsMs 283150 Specdb::MsMs 283151 Specdb::MsMs 2396616 Specdb::MsMs 2396617 Specdb::MsMs 2396618 Specdb::MsMs 2542175 Specdb::MsMs 2542176 Specdb::MsMs 2542177 Specdb::NmrOneD 150890 Specdb::NmrOneD 150891 Specdb::NmrOneD 150892 Specdb::NmrOneD 150893 Specdb::NmrOneD 150894 Specdb::NmrOneD 150895 Specdb::NmrOneD 150896 Specdb::NmrOneD 150897 Specdb::NmrOneD 150898 Specdb::NmrOneD 150899 Specdb::NmrOneD 150900 Specdb::NmrOneD 150901 Specdb::NmrOneD 150902 Specdb::NmrOneD 150903 Specdb::NmrOneD 150904 Specdb::NmrOneD 150905 Specdb::NmrOneD 150906 Specdb::NmrOneD 150907 Specdb::NmrOneD 150908 Specdb::NmrOneD 150909 Specdb::CMs 15405 Specdb::CMs 39754 Specdb::CMs 148175 Specdb::CMs 148177 Specdb::CMs 148179 Specdb::CMs 148181 Specdb::CMs 148183 Specdb::CMs 148185 Specdb::CMs 148187 Specdb::CMs 148189 Specdb::CMs 148191 Specdb::CMs 148194 Specdb::CMs 148196 Specdb::CMs 148198 Specdb::CMs 148200 Specdb::CMs 148202 Specdb::CMs 148204 Specdb::CMs 148206 Specdb::CMs 148208 Specdb::CMs 148210 Specdb::CMs 148212 Specdb::CMs 148214 Specdb::CMs 148216 Specdb::CMs 148218 Specdb::CMs 148220 FDB028357 44230 DB03779 C15658