1.0 2010-04-08 22:15:28 UTC 2025-11-19 02:35:35 UTC FDB021109 Sesaminol glucosyl-(1->2)-glucoside Constituent of sesame seed. Sesaminol glucosyl-(1->2)-glucoside is found in cereals and cereal products. Justisolin glucosyl-(1->2)-glucoside Justisolin O-[b-D-glucopyranosyl-(1->2)-b-D-glucopyranoside] Sesaminol glucosyl-(1->2)-glucoside C32H38O17 694.6339 694.21089979 2-{[2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol 157469-82-4 OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(OCO3)C=C2C2OCC3C2COC3C2=CC3=C(OCO3)C=C2)C(O)C(O)C1O InChI=1S/C32H38O17/c33-6-21-23(35)25(37)27(39)31(47-21)49-30-26(38)24(36)22(7-34)48-32(30)46-17-5-20-19(44-11-45-20)4-13(17)29-15-9-40-28(14(15)8-41-29)12-1-2-16-18(3-12)43-10-42-16/h1-5,14-15,21-39H,6-11H2 TUTPGZDOPYRLSX-UHFFFAOYSA-N belongs to the class of organic compounds known as lignan glycosides. These are aromatic polycyclic compounds containing a carbohydrate component glycosidically linked to a lignan moiety. They include 1-aryltetralin lactones. Lignan glycosides Organic compounds Lignans, neolignans and related compounds Lignan glycosides Aromatic heteropolycyclic compounds Acetals Benzenoids Benzodioxoles Dialkyl ethers Disaccharides Furofuran lignans Furofurans Hydrocarbon derivatives O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzodioxole Dialkyl ether Disaccharide Ether Furanoid lignan Furofuran Furofuran lignan skeleton Glycosyl compound Hydrocarbon derivative Lignan glycoside O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp -0.36 ALOGPS logs -2.23 ALOGPS solubility 4.12e+00 g/l ALOGPS logp -1.9 ChemAxon pka_strongest_acidic 12.09 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{[2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 694.6339 ChemAxon mono_mass 694.21089979 ChemAxon smiles OCC1OC(OC2C(O)C(O)C(CO)OC2OC2=CC3=C(OCO3)C=C2C2OCC3C2COC3C2=CC3=C(OCO3)C=C2)C(O)C(O)C1O ChemAxon formula C32H38O17 ChemAxon inchi InChI=1S/C32H38O17/c33-6-21-23(35)25(37)27(39)31(47-21)49-30-26(38)24(36)22(7-34)48-32(30)46-17-5-20-19(44-11-45-20)4-13(17)29-15-9-40-28(14(15)8-41-29)12-1-2-16-18(3-12)43-10-42-16/h1-5,14-15,21-39H,6-11H2 ChemAxon inchikey TUTPGZDOPYRLSX-UHFFFAOYSA-N ChemAxon polar_surface_area 233.91 ChemAxon refractivity 156.28 ChemAxon polarizability 68.33 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 17 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 312703 Specdb::MsMs 312704 Specdb::MsMs 312705 Specdb::MsMs 358024 Specdb::MsMs 358025 Specdb::MsMs 358026 Specdb::MsMs 2407475 Specdb::MsMs 2407476 Specdb::MsMs 2407477 Specdb::MsMs 2531142 Specdb::MsMs 2531143 Specdb::MsMs 2531144 Specdb::NmrOneD 45402 Specdb::NmrOneD 45403 Specdb::NmrOneD 45404 Specdb::NmrOneD 45405 Specdb::NmrOneD 45406 Specdb::NmrOneD 45407 Specdb::NmrOneD 45408 Specdb::NmrOneD 45409 Specdb::NmrOneD 45410 Specdb::NmrOneD 45411 Specdb::NmrOneD 45412 Specdb::NmrOneD 45413 Specdb::NmrOneD 45414 Specdb::NmrOneD 45415 Specdb::NmrOneD 45416 Specdb::NmrOneD 45417 Specdb::NmrOneD 45418 Specdb::NmrOneD 45419 Specdb::NmrOneD 45420 Specdb::NmrOneD 45421 Specdb::CMs 20979 Specdb::CMs 744381 Specdb::CMs 744382 Specdb::CMs 744383 Specdb::CMs 744384 Specdb::CMs 744385 Specdb::CMs 744386 Specdb::CMs 744387 Specdb::CMs 744388 Specdb::CMs 744389 Specdb::CMs 744390 Specdb::CMs 744391 Specdb::CMs 744392 Specdb::CMs 744393 Specdb::CMs 744394 Specdb::CMs 744395 Specdb::CMs 744396 Specdb::CMs 744397 Specdb::CMs 744398 Specdb::CMs 744399 Specdb::CMs 744400 Specdb::CMs 744401 Specdb::CMs 744402 Specdb::CMs 744403 Specdb::CMs 744404 HMDB41210 #<Reference:0x000055ce31856b00> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic