1.0 2010-04-08 22:07:33 UTC 2025-11-18 23:04:35 UTC FDB007314 Verbascotetrose Verbascotetrose is a member of the class of compounds known as oligosaccharides. Oligosaccharides are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Verbascotetrose is soluble (in water) and a very weakly acidic compound (based on its pKa). Verbascotetrose can be found in cocoa bean, which makes verbascotetrose a potential biomarker for the consumption of this food product. C24H42O21 666.5777 666.221858406 6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol 6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O InChI=1S/C24H42O21/c25-1-5-9(26)14(31)18(35)22(43-5)40-3-7-11(28)16(33)20(37)24(45-7)41-4-8-12(29)15(32)19(36)23(44-8)39-2-6-10(27)13(30)17(34)21(38)42-6/h5-38H,1-4H2 DFKPJBWUFOESDV-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 -0.36 ALOGPS solubility 2.92e+02 g/l ALOGPS logp -8.2 ChemAxon pka_strongest_acidic 11.19 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol ChemAxon average_mass 666.5777 ChemAxon mono_mass 666.221858406 ChemAxon smiles OCC1OC(OCC2OC(OCC3OC(OCC4OC(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C24H42O21 ChemAxon inchi InChI=1S/C24H42O21/c25-1-5-9(26)14(31)18(35)22(43-5)40-3-7-11(28)16(33)20(37)24(45-7)41-4-8-12(29)15(32)19(36)23(44-8)39-2-6-10(27)13(30)17(34)21(38)42-6/h5-38H,1-4H2 ChemAxon inchikey DFKPJBWUFOESDV-UHFFFAOYSA-N ChemAxon polar_surface_area 347.83 ChemAxon refractivity 133.16 ChemAxon polarizability 62.84 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59571 Specdb::MsMs 59572 Specdb::MsMs 59573 Specdb::MsMs 115737 Specdb::MsMs 115738 Specdb::MsMs 115739 Specdb::MsMs 3603905 Specdb::MsMs 3603906 Specdb::MsMs 3603907 Specdb::MsMs 3603908 Specdb::MsMs 3603909 Specdb::MsMs 3603910 Cocoa bean Type 1 specific Theobroma cacao 3641