1.0 2010-04-08 22:04:51 UTC 2019-11-26 02:56:00 UTC FDB001143 Kojibiose Occurs in saké and honey Kojibiose is a disaccharide. Kojibiose is found in alcoholic beverages. 2-alpha-D-glucosyl-D-glucose 2-O-a-D-Glucopyranosyl-D-glucose 2-O-alpha-D-Glucopyranosyl-D-glucose 2-O-α-D-glucopyranosyl-D-glucose alpha-D-glucopyranosyl-(1->2)-D-glucose Kojibiose C36H66O33 1026.8894 1026.348634638 2-{[5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol; 3,4,5,6-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal; 6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol 2-{[5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol; 3,4,5,6-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal; sophorose 2140-29-6 OCC(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C=O.OCC(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O InChI=1S/3C12H22O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12;13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12;13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2*3-20H,1-2H2;2,4-13,15-21H,1,3H2 QDIWXKQRIPFNEA-UHFFFAOYSA-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. Fatty acyl glycosides of mono- and disaccharides Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Acetals Alkyl glycosides Beta-hydroxy aldehydes Disaccharides Fatty alcohols Hemiacetals Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aldehyde Aliphatic heteromonocyclic compound Alkyl glycoside Beta-hydroxy aldehyde Carbonyl group Disaccharide Fatty acyl glycoside of mono- or disaccharide Fatty alcohol Glycosyl compound Hemiacetal Hydrocarbon derivative O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran Solid logp -2.97 ALOGPS logs 0.25 ALOGPS solubility 6.09e+02 g/l ALOGPS melting_point Mp 187-188° logp -4.7 ChemAxon pka_strongest_acidic 11.27 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[5-(1,2-dihydroxyethyl)-2,4-dihydroxyoxolan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol; 3,4,5,6-tetrahydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal; 6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2,4,5-triol ChemAxon average_mass 1026.8894 ChemAxon mono_mass 1026.348634638 ChemAxon smiles OCC(O)C(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C=O.OCC(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C1O.OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O ChemAxon formula C36H66O33 ChemAxon inchi InChI=1S/3C12H22O11/c13-1-3(15)9-8(19)10(11(20)22-9)23-12-7(18)6(17)5(16)4(2-14)21-12;13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12;13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2*3-20H,1-2H2;2,4-13,15-21H,1,3H2 ChemAxon inchikey QDIWXKQRIPFNEA-UHFFFAOYSA-N ChemAxon polar_surface_area 189.53 ChemAxon refractivity 68.34 ChemAxon polarizability 32.13 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 77106 Specdb::MsMs 77107 Specdb::MsMs 77108 Specdb::MsMs 137136 Specdb::MsMs 137137 Specdb::MsMs 137138 HMDB11742 33020 Alcoholic beverages Unknown generic Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.182 0.193 0.171 mg/100 g Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823