1.0 2010-04-08 22:15:29 UTC 2018-05-29 01:49:43 UTC FDB021125 beta-D-Galactopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->6)-D-mannose Constituent of blood group substance of human milk C18H33NO15 503.4523 503.185019391 6-({[3-amino-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol 6-({[3-amino-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(O)C(O)C(O)C1O InChI=1S/C18H33NO15/c19-7-10(24)15(34-18-14(28)12(26)8(22)4(1-20)32-18)5(2-21)33-17(7)30-3-6-9(23)11(25)13(27)16(29)31-6/h4-18,20-29H,1-3,19H2 GSVMXPZDCHWGCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Oligosaccharides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds 1,2-aminoalcohols Acetals Aminoglycosides Hemiacetals Hydrocarbon derivatives Monoalkylamines O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 1,2-aminoalcohol Acetal Alcohol Aliphatic heteromonocyclic compound Amine Amino saccharide Aminoglycoside core Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Primary aliphatic amine Primary amine Secondary alcohol logp -3.06 ALOGPS logs -0.07 ALOGPS solubility 4.32e+02 g/l ALOGPS logp -6.6 ChemAxon pka_strongest_acidic 11.25 ChemAxon pka_strongest_basic 8.43 ChemAxon iupac 6-({[3-amino-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol ChemAxon average_mass 503.4523 ChemAxon mono_mass 503.185019391 ChemAxon smiles NC1C(O)C(OC2OC(CO)C(O)C(O)C2O)C(CO)OC1OCC1OC(O)C(O)C(O)C1O ChemAxon formula C18H33NO15 ChemAxon inchi InChI=1S/C18H33NO15/c19-7-10(24)15(34-18-14(28)12(26)8(22)4(1-20)32-18)5(2-21)33-17(7)30-3-6-9(23)11(25)13(27)16(29)31-6/h4-18,20-29H,1-3,19H2 ChemAxon inchikey GSVMXPZDCHWGCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 274.47 ChemAxon refractivity 102.41 ChemAxon polarizability 48.2 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23188 Specdb::CMs 47188 Specdb::CMs 168745 Specdb::CMs 168748 Specdb::CMs 168750 Specdb::CMs 280644 Specdb::MsMs 317452 Specdb::MsMs 317453 Specdb::MsMs 317454 Specdb::MsMs 363934 Specdb::MsMs 363935 Specdb::MsMs 363936 Specdb::MsMs 2836593 Specdb::MsMs 2836594 Specdb::MsMs 2836595 Specdb::MsMs 2872523 Specdb::MsMs 2872524 Specdb::MsMs 2872525 Specdb::NmrOneD 45522 Specdb::NmrOneD 45523 Specdb::NmrOneD 45524 Specdb::NmrOneD 45525 Specdb::NmrOneD 45526 Specdb::NmrOneD 45527 Specdb::NmrOneD 45528 Specdb::NmrOneD 45529 Specdb::NmrOneD 45530 Specdb::NmrOneD 45531 Specdb::NmrOneD 45532 Specdb::NmrOneD 45533 Specdb::NmrOneD 45534 Specdb::NmrOneD 45535 Specdb::NmrOneD 45536 Specdb::NmrOneD 45537 Specdb::NmrOneD 45538 Specdb::NmrOneD 45539 Specdb::NmrOneD 45540 Specdb::NmrOneD 45541 HMDB41224 #<Reference:0x000055ce318fd9f0>