1.0 2010-04-08 22:13:38 UTC 2019-11-26 03:16:00 UTC FDB018316 Sesamose Isolated from seeds of Sesamum indicum (sesame). Sesamose is found in fats and oils and sesame. a-D-Galactopyranosyl-(1->6)-[a-D-galactopyranosyl-(1->6)-a-D-glucopyranosyl-(1->2)]-b-D-fructofuranoside a-D-Galactopyranosyl-(1->6)-b-D-fructofuranosyl-(2->1)-[a-D-galactopyranosyl-(1->6)]-a-D-glucopyranoside C24H42O21 666.5777 666.221858406 2-{[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 302-72-7 OCC1OC(OCC2OC(CO)(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)19(37)23(43-8)45-24(5-27)20(38)13(31)9(44-24)4-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2 VGKIRQHUZIZMIP-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 C-glycosyl compounds Hydrocarbon derivatives Ketals O-glycosyl compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aliphatic heteromonocyclic compound C-glycosyl compound Glycosyl compound Hydrocarbon derivative Ketal O-glycosyl compound Oligosaccharide Organoheterocyclic compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Tetrahydrofuran a small molecule logp -2.96 ALOGPS logs -0.20 ALOGPS solubility 4.23e+02 g/l ALOGPS logp -8.1 ChemAxon pka_strongest_acidic 11.63 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-{[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxolan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 666.5777 ChemAxon mono_mass 666.221858406 ChemAxon smiles OCC1OC(OCC2OC(CO)(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O ChemAxon formula C24H42O21 ChemAxon inchi InChI=1S/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)19(37)23(43-8)45-24(5-27)20(38)13(31)9(44-24)4-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2 ChemAxon inchikey VGKIRQHUZIZMIP-UHFFFAOYSA-N ChemAxon polar_surface_area 347.83 ChemAxon refractivity 133.6 ChemAxon polarizability 61.96 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 21 ChemAxon donor_count 14 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61155 Specdb::MsMs 61156 Specdb::MsMs 61157 Specdb::MsMs 117639 Specdb::MsMs 117640 Specdb::MsMs 117641 Specdb::MsMs 2732994 Specdb::MsMs 2732995 Specdb::MsMs 2732996 Specdb::MsMs 2972544 Specdb::MsMs 2972545 Specdb::MsMs 2972546 Specdb::NmrOneD 29882 Specdb::NmrOneD 29883 Specdb::NmrOneD 29884 Specdb::NmrOneD 29885 Specdb::NmrOneD 29886 Specdb::NmrOneD 29887 Specdb::NmrOneD 29888 Specdb::NmrOneD 29889 Specdb::NmrOneD 29890 Specdb::NmrOneD 29891 Specdb::NmrOneD 29892 Specdb::NmrOneD 29893 Specdb::NmrOneD 29894 Specdb::NmrOneD 29895 Specdb::NmrOneD 29896 Specdb::NmrOneD 29897 Specdb::NmrOneD 29898 Specdb::NmrOneD 29899 Specdb::NmrOneD 29900 Specdb::NmrOneD 29901 Specdb::CMs 11711 Specdb::CMs 690214 Specdb::CMs 690215 Specdb::CMs 690216 Specdb::CMs 690217 Specdb::CMs 690218 Specdb::CMs 690219 Specdb::CMs 690220 Specdb::CMs 690221 Specdb::CMs 690222 Specdb::CMs 690223 Specdb::CMs 690224 Specdb::CMs 690225 Specdb::CMs 690226 Specdb::CMs 690227 Specdb::CMs 690228 Specdb::CMs 690229 Specdb::CMs 690230 Specdb::CMs 690231 Specdb::CMs 690232 Specdb::CMs 690233 Specdb::CMs 690234 Specdb::CMs 690235 Specdb::CMs 690236 Specdb::CMs 690237 HMDB38871 #<Reference:0x000055ce30e870c0> Fats and oils Unknown generic Sesame Type 1 specific Sesamum orientale 4182