1.0 2010-04-08 22:14:17 UTC 2019-11-26 03:17:24 UTC FDB019333 alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose Isolated from sake. alpha-D-Glucopyranosyl-(1->6)-alpha-D-glucopyranosyl-(1->2)-D-glucose is found in alcoholic beverages. 2-a-Isomaltosylglucose C18H32O16 504.4371 504.169034976 6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxane-2,4,5-triol 6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxane-2,4,5-triol 40983-70-8 OCC1OC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O InChI=1S/C18H32O16/c19-1-4-8(22)12(26)15(16(29)31-4)34-18-14(28)11(25)9(23)6(33-18)3-30-17-13(27)10(24)7(21)5(2-20)32-17/h4-29H,1-3H2 XSGDQAKVXQNLMJ-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 Acetals Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -2.75 ALOGPS logs -0.04 ALOGPS solubility 4.59e+02 g/l ALOGPS logp -6.5 ChemAxon pka_strongest_acidic 11.23 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxane-2,4,5-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OCC1OC(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-4-8(22)12(26)15(16(29)31-4)34-18-14(28)11(25)9(23)6(33-18)3-30-17-13(27)10(24)7(21)5(2-20)32-17/h4-29H,1-3H2 ChemAxon inchikey XSGDQAKVXQNLMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 100.75 ChemAxon polarizability 46.58 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13768 Specdb::CMs 46524 Specdb::CMs 169779 Specdb::CMs 169781 Specdb::CMs 169783 Specdb::CMs 169785 Specdb::CMs 169787 Specdb::CMs 169789 Specdb::CMs 169792 Specdb::CMs 169795 Specdb::CMs 169798 Specdb::CMs 169800 Specdb::CMs 169802 Specdb::CMs 169804 Specdb::CMs 169806 Specdb::CMs 169808 Specdb::CMs 169810 Specdb::CMs 169812 Specdb::CMs 169815 Specdb::CMs 280659 Specdb::NmrOneD 35342 Specdb::NmrOneD 35343 Specdb::NmrOneD 35344 Specdb::NmrOneD 35345 Specdb::NmrOneD 35346 Specdb::NmrOneD 35347 Specdb::NmrOneD 35348 Specdb::NmrOneD 35349 Specdb::NmrOneD 35350 Specdb::NmrOneD 35351 Specdb::NmrOneD 35352 Specdb::NmrOneD 35353 Specdb::NmrOneD 35354 Specdb::NmrOneD 35355 Specdb::NmrOneD 35356 Specdb::NmrOneD 35357 Specdb::NmrOneD 35358 Specdb::NmrOneD 35359 Specdb::NmrOneD 35360 Specdb::NmrOneD 35361 Specdb::MsMs 87933 Specdb::MsMs 87934 Specdb::MsMs 87935 Specdb::MsMs 150552 Specdb::MsMs 150553 Specdb::MsMs 150554 Specdb::MsMs 2403152 Specdb::MsMs 2403153 Specdb::MsMs 2403154 Specdb::MsMs 2535093 Specdb::MsMs 2535094 Specdb::MsMs 2535095 HMDB39704 #<Reference:0x000055ce321f6480> Alcoholic beverages Unknown generic