1.0 2010-04-08 22:14:17 UTC 2025-11-19 02:19:07 UTC FDB019343 3-beta-Cellobiosylglucose obtained from partial acid and enzymic hydrolysis of oat b-glucan and barley b-glucan. 3-beta-Cellobiosylglucose is found in cereals and cereal products. 3-b-Cellobiosylglucose C18H32O16 504.4371 504.169034976 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 32581-36-5 OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)OC(CO)C3O)OC2CO)C(O)C(O)C1O InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)32-18(12(27)10(14)25)34-15-8(23)5(2-20)30-16(29)13(15)28/h4-29H,1-3H2 NLCKNAHSPSUVER-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 -2.73 ALOGPS logs 0.05 ALOGPS solubility 5.60e+02 g/l ALOGPS melting_point Mp 236-239° logp -6.5 ChemAxon pka_strongest_acidic 11.21 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 504.4371 ChemAxon mono_mass 504.169034976 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)OC(CO)C3O)OC2CO)C(O)C(O)C1O ChemAxon formula C18H32O16 ChemAxon inchi InChI=1S/C18H32O16/c19-1-4-7(22)9(24)11(26)17(31-4)33-14-6(3-21)32-18(12(27)10(14)25)34-15-8(23)5(2-20)30-16(29)13(15)28/h4-29H,1-3H2 ChemAxon inchikey NLCKNAHSPSUVER-UHFFFAOYSA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 100.75 ChemAxon polarizability 46.49 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17011 Specdb::CMs 46528 Specdb::CMs 169838 Specdb::CMs 169840 Specdb::CMs 169842 Specdb::CMs 169844 Specdb::CMs 169846 Specdb::CMs 169849 Specdb::CMs 169851 Specdb::CMs 169853 Specdb::CMs 169855 Specdb::CMs 169857 Specdb::CMs 169859 Specdb::CMs 169861 Specdb::CMs 169863 Specdb::CMs 169865 Specdb::CMs 169867 Specdb::CMs 169870 Specdb::CMs 169872 Specdb::CMs 169874 Specdb::CMs 169876 Specdb::CMs 169878 Specdb::CMs 169880 Specdb::CMs 169882 Specdb::CMs 169884 Specdb::NmrOneD 35422 Specdb::NmrOneD 35423 Specdb::NmrOneD 35424 Specdb::NmrOneD 35425 Specdb::NmrOneD 35426 Specdb::NmrOneD 35427 Specdb::NmrOneD 35428 Specdb::NmrOneD 35429 Specdb::NmrOneD 35430 Specdb::NmrOneD 35431 Specdb::NmrOneD 35432 Specdb::NmrOneD 35433 Specdb::NmrOneD 35434 Specdb::NmrOneD 35435 Specdb::NmrOneD 35436 Specdb::NmrOneD 35437 Specdb::NmrOneD 35438 Specdb::NmrOneD 35439 Specdb::NmrOneD 35440 Specdb::NmrOneD 35441 Specdb::MsMs 8084 Specdb::MsMs 8085 Specdb::MsMs 8086 Specdb::MsMs 14756 Specdb::MsMs 14757 Specdb::MsMs 14758 Specdb::MsMs 2715925 Specdb::MsMs 2715926 Specdb::MsMs 2715927 Specdb::MsMs 2966835 Specdb::MsMs 2966836 Specdb::MsMs 2966837 HMDB39708 #<Reference:0x000055ce315dac00> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic