1.0 2010-04-08 22:13:52 UTC 2019-11-26 03:16:31 UTC FDB018700 3-beta-Glucosylcellotriose Isolated from cellulase hydrolysates of oat b-glucan. 3-beta-Glucosylcellotriose is found in cereals and cereal products. 3-b-Glucosylcellotriose 4-b-Laminaribiosylcellobiose C24H42O21 666.5777 666.221858406 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 58484-04-1 OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)C2O)C(O)C(O)C1O InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)22(40-5)45-20-10(30)6(2-26)41-24(17(20)37)44-19-8(4-28)42-23(16(36)13(19)33)43-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2 DRMABKCEUIQDFK-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 -2.68 ALOGPS logs -0.27 ALOGPS solubility 3.57e+02 g/l ALOGPS melting_point Mp 221-224° logp -8.2 ChemAxon pka_strongest_acidic 11.19 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-[(2-{[4,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 666.5777 ChemAxon mono_mass 666.221858406 ChemAxon smiles OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)C2O)C(O)C(O)C1O ChemAxon formula C24H42O21 ChemAxon inchi InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)22(40-5)45-20-10(30)6(2-26)41-24(17(20)37)44-19-8(4-28)42-23(16(36)13(19)33)43-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2 ChemAxon inchikey DRMABKCEUIQDFK-UHFFFAOYSA-N ChemAxon polar_surface_area 347.83 ChemAxon refractivity 133.16 ChemAxon polarizability 62.45 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 31522 Specdb::NmrOneD 31523 Specdb::NmrOneD 31524 Specdb::NmrOneD 31525 Specdb::NmrOneD 31526 Specdb::NmrOneD 31527 Specdb::NmrOneD 31528 Specdb::NmrOneD 31529 Specdb::NmrOneD 31530 Specdb::NmrOneD 31531 Specdb::NmrOneD 31532 Specdb::NmrOneD 31533 Specdb::NmrOneD 31534 Specdb::NmrOneD 31535 Specdb::NmrOneD 31536 Specdb::NmrOneD 31537 Specdb::NmrOneD 31538 Specdb::NmrOneD 31539 Specdb::NmrOneD 31540 Specdb::NmrOneD 31541 Specdb::MsMs 55236 Specdb::MsMs 55237 Specdb::MsMs 55238 Specdb::MsMs 110349 Specdb::MsMs 110350 Specdb::MsMs 110351 Specdb::MsMs 2685156 Specdb::MsMs 2685157 Specdb::MsMs 2685158 Specdb::MsMs 3023175 Specdb::MsMs 3023176 Specdb::MsMs 3023177 Specdb::CMs 9396 Specdb::CMs 690788 Specdb::CMs 690789 Specdb::CMs 690790 Specdb::CMs 690791 Specdb::CMs 690792 Specdb::CMs 690793 Specdb::CMs 690794 Specdb::CMs 690795 Specdb::CMs 690796 Specdb::CMs 690797 Specdb::CMs 690798 Specdb::CMs 690799 Specdb::CMs 690800 Specdb::CMs 690801 Specdb::CMs 690802 Specdb::CMs 690803 Specdb::CMs 690804 Specdb::CMs 690805 Specdb::CMs 690806 Specdb::CMs 690807 Specdb::CMs 690808 Specdb::CMs 690809 Specdb::CMs 690810 Specdb::CMs 690811 HMDB39173 #<Reference:0x000055ce322e69a8> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic