1.0 2010-04-08 22:15:28 UTC 2025-11-19 02:35:35 UTC FDB021108 Sesaminol glucoside Constituent of sesame seed. Sesaminol glucoside is found in cereals and cereal products. Justisolin glucoside Justisolin O-b-D-glucopyranoside Sesaminol glucoside C26H28O12 532.4933 532.15807636 2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol 153512-13-1 OCC1OC(OC2=CC3=C(OCO3)C=C2C2OCC3C2COC3C2=CC3=C(OCO3)C=C2)C(O)C(O)C1O InChI=1S/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2 HVDZWQPYIXKSCL-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 Furofuran lignans Furofurans Hexoses 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 Ether Furanoid lignan Furofuran Furofuran lignan skeleton Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Lignan glycoside Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenolic glycoside Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp 0.63 ALOGPS logs -2.52 ALOGPS solubility 1.61e+00 g/l ALOGPS logp -0.12 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 532.4933 ChemAxon mono_mass 532.15807636 ChemAxon smiles OCC1OC(OC2=CC3=C(OCO3)C=C2C2OCC3C2COC3C2=CC3=C(OCO3)C=C2)C(O)C(O)C1O ChemAxon formula C26H28O12 ChemAxon inchi InChI=1S/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2 ChemAxon inchikey HVDZWQPYIXKSCL-UHFFFAOYSA-N ChemAxon polar_surface_area 154.76 ChemAxon refractivity 123.87 ChemAxon polarizability 53.09 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 45382 Specdb::NmrOneD 45383 Specdb::NmrOneD 45384 Specdb::NmrOneD 45385 Specdb::NmrOneD 45386 Specdb::NmrOneD 45387 Specdb::NmrOneD 45388 Specdb::NmrOneD 45389 Specdb::NmrOneD 45390 Specdb::NmrOneD 45391 Specdb::NmrOneD 45392 Specdb::NmrOneD 45393 Specdb::NmrOneD 45394 Specdb::NmrOneD 45395 Specdb::NmrOneD 45396 Specdb::NmrOneD 45397 Specdb::NmrOneD 45398 Specdb::NmrOneD 45399 Specdb::NmrOneD 45400 Specdb::NmrOneD 45401 Specdb::CMs 21560 Specdb::CMs 47178 Specdb::CMs 227983 Specdb::CMs 227985 Specdb::CMs 227987 Specdb::CMs 227989 Specdb::CMs 227992 Specdb::CMs 227994 Specdb::CMs 227996 Specdb::CMs 227998 Specdb::CMs 228000 Specdb::CMs 228002 Specdb::CMs 228004 Specdb::CMs 228006 Specdb::CMs 228008 Specdb::CMs 228011 Specdb::CMs 228012 Specdb::CMs 228014 Specdb::CMs 228017 Specdb::CMs 228018 Specdb::CMs 228020 Specdb::CMs 228022 Specdb::CMs 228024 Specdb::CMs 228026 Specdb::CMs 228028 Specdb::MsMs 9587 Specdb::MsMs 9588 Specdb::MsMs 9589 Specdb::MsMs 16259 Specdb::MsMs 16260 Specdb::MsMs 16261 Specdb::MsMs 2340279 Specdb::MsMs 2340280 Specdb::MsMs 2340281 Specdb::MsMs 2625320 Specdb::MsMs 2625321 Specdb::MsMs 2625322 HMDB41209 #<Reference:0x000055ce3340c610> Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic