1.0 2010-04-08 22:13:53 UTC 2025-11-19 02:13:36 UTC FDB018701 3-beta-Cellobiosylcellobiose Isolated from cellulase hydrolysates of oat b-glucan. 3-beta-Cellobiosylcellobiose is found in cereals and cereal products. 3-b-Cellobiosylcellobiose C24H42O21 666.5777 666.221858406 2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 103762-93-2 OCC1OC(OC2C(O)C(O)C(OC3C(O)C(CO)OC(OC4C(O)C(O)C(O)OC4CO)C3O)OC2CO)C(O)C(O)C1O InChI=1S/C24H42O21/c25-1-5-9(29)11(31)15(35)22(40-5)43-19-8(4-28)42-23(16(36)13(19)33)45-20-10(30)6(2-26)41-24(17(20)37)44-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2 AFDQDPIWXNGUOF-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 -2.67 ALOGPS logs -0.27 ALOGPS solubility 3.57e+02 g/l ALOGPS melting_point Mp 223-226° logp -8.2 ChemAxon pka_strongest_acidic 11.19 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-[(6-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-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(O)C(OC3C(O)C(CO)OC(OC4C(O)C(O)C(O)OC4CO)C3O)OC2CO)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)43-19-8(4-28)42-23(16(36)13(19)33)45-20-10(30)6(2-26)41-24(17(20)37)44-18-7(3-27)39-21(38)14(34)12(18)32/h5-38H,1-4H2 ChemAxon inchikey AFDQDPIWXNGUOF-UHFFFAOYSA-N ChemAxon polar_surface_area 347.83 ChemAxon refractivity 133.16 ChemAxon polarizability 62.21 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55038 Specdb::MsMs 55039 Specdb::MsMs 55040 Specdb::MsMs 158061 Specdb::MsMs 158062 Specdb::MsMs 158063 Specdb::MsMs 2665006 Specdb::MsMs 2665007 Specdb::MsMs 2665008 Specdb::MsMs 3016308 Specdb::MsMs 3016309 Specdb::MsMs 3016310 Specdb::NmrOneD 31542 Specdb::NmrOneD 31543 Specdb::NmrOneD 31544 Specdb::NmrOneD 31545 Specdb::NmrOneD 31546 Specdb::NmrOneD 31547 Specdb::NmrOneD 31548 Specdb::NmrOneD 31549 Specdb::NmrOneD 31550 Specdb::NmrOneD 31551 Specdb::NmrOneD 31552 Specdb::NmrOneD 31553 Specdb::NmrOneD 31554 Specdb::NmrOneD 31555 Specdb::NmrOneD 31556 Specdb::NmrOneD 31557 Specdb::NmrOneD 31558 Specdb::NmrOneD 31559 Specdb::NmrOneD 31560 Specdb::NmrOneD 31561 Specdb::CMs 25003 Specdb::CMs 691362 Specdb::CMs 691363 Specdb::CMs 691364 Specdb::CMs 691365 Specdb::CMs 691366 Specdb::CMs 691367 Specdb::CMs 691368 Specdb::CMs 691369 Specdb::CMs 691370 Specdb::CMs 691371 Specdb::CMs 691372 Specdb::CMs 691373 Specdb::CMs 691374 Specdb::CMs 691375 Specdb::CMs 691376 Specdb::CMs 691377 Specdb::CMs 691378 Specdb::CMs 691379 Specdb::CMs 691380 Specdb::CMs 691381 Specdb::CMs 691382 Specdb::CMs 691383 Specdb::CMs 691384 Specdb::CMs 691385 HMDB39174 #<Reference:0x000055ce32003e48> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic