1.0 2016-10-03 18:23:53 UTC 2020-04-22 15:46:16 UTC BMDB0011742 BMDB11742 Kojibiose 2-alpha-D-Glucosyl-D-glucose 2-O-alpha-D-Glucopyranosyl-D-glucose 2-a-D-Glucosyl-D-glucose 2-Α-D-glucosyl-D-glucose 2-O-a-D-Glucopyranosyl-D-glucose 2-O-Α-D-glucopyranosyl-D-glucose alpha-D-Glucopyranosyl-(1->2)-D-glucose C12H22O11 342.2965 342.116211546 (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal kojibiose 2140-29-6 OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1 PZDOWFGHCNHPQD-OQPGPFOOSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl glycosides Fatty acyl glycosides of mono- and disaccharides Acetals Alkyl glycosides Beta-hydroxy aldehydes Disaccharides Fatty alcohols Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols 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 Hydrocarbon derivative O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Aliphatic heteromonocyclic compounds glycosylglucose Solid logp -2.76 ALOGPS logs -0.09 ALOGPS logp -5.3 ChemAxon pka_strongest_acidic 11.81 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal ChemAxon average_mass 342.2965 ChemAxon mono_mass 342.116211546 ChemAxon smiles OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=O ChemAxon formula C12H22O11 ChemAxon inchi InChI=1S/C12H22O11/c13-1-4(16)7(17)8(18)5(2-14)22-12-11(21)10(20)9(19)6(3-15)23-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1 ChemAxon inchikey PZDOWFGHCNHPQD-OQPGPFOOSA-N ChemAxon polar_surface_area 197.37 ChemAxon refractivity 69.76 ChemAxon polarizability 31.02 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 288907 Specdb::MsMs 288908 Specdb::MsMs 288909 Specdb::MsMs 328171 Specdb::MsMs 328172 Specdb::MsMs 328173 Specdb::MsMs 2789368 Specdb::MsMs 2789369 Specdb::MsMs 2789370 Specdb::MsMs 2919524 Specdb::MsMs 2919525 Specdb::MsMs 2919526 Specdb::CMs 10385 Specdb::CMs 39791 Specdb::CMs 134124 Specdb::CMs 141858 Specdb::NmrOneD 94412 Specdb::NmrOneD 94413 Specdb::NmrOneD 94414 Specdb::NmrOneD 94415 Specdb::NmrOneD 94416 Specdb::NmrOneD 94417 Specdb::NmrOneD 94418 Specdb::NmrOneD 94419 Specdb::NmrOneD 94420 Specdb::NmrOneD 94421 Specdb::NmrOneD 94422 Specdb::NmrOneD 94423 Specdb::NmrOneD 94424 Specdb::NmrOneD 94425 Specdb::NmrOneD 94426 Specdb::NmrOneD 94427 Specdb::NmrOneD 94428 Specdb::NmrOneD 94429 Specdb::NmrOneD 94430 Specdb::NmrOneD 94431 FDB001143 144601 164939 C19632 33020 C00050477 ALPHA-KOJIBIOSE Kojibiose