1.02010-04-08 22:12:13 UTC2019-11-26 03:12:42 UTCFDB016071(8R,8'R)-Secoisolariciresinol 9-glucosideConstituent of Pinus sylvestris (Scotch pine), Riesling wine and nettles. (8R,8'R)-Secoisolariciresinol 9-glucoside is found in alcoholic beverages.(8R,8'R)-Secoisolariciresinol 9-glucoside(8R,8'R)-Secoisolariciresinol 9-O-b-D-glucopyranosideC26H36O11524.5574524.2257619942-{4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol2-{4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triol63320-67-2COC1=C(O)C=CC(CC(CO)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1InChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3DRLPXFRWJUZTMG-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 glycosidesOrganic compoundsLignans, neolignans and related compoundsLignan glycosidesAromatic heteromonocyclic compounds1-hydroxy-2-unsubstituted benzenoidsAcetalsAlkyl aryl ethersAlkyl glycosidesAnisolesDibenzylbutane lignansFatty acyl glycosides of mono- and disaccharidesHexosesHydrocarbon derivativesMethoxybenzenesMethoxyphenolsO-glycosyl compoundsOxacyclic compoundsOxanesPhenoxy compoundsPolyolsPrimary alcoholsSecondary alcohols1-hydroxy-2-unsubstituted benzenoidAcetalAlcoholAlkyl aryl etherAlkyl glycosideAnisoleAromatic heteromonocyclic compoundBenzenoidDibenzylbutane lignan skeletonEtherFatty acylFatty acyl glycosideFatty acyl glycoside of mono- or disaccharideGlycosyl compoundHexose monosaccharideHydrocarbon derivativeLignan glycosideMethoxybenzeneMethoxyphenolMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic oxygen compoundOrganoheterocyclic compoundOrganooxygen compoundOxacycleOxanePhenolPhenol etherPhenoxy compoundPolyolPrimary alcoholSecondary alcohollogp0.77logs-3.23solubility3.07e-01 g/llogp0.56pka_strongest_acidic9.96pka_strongest_basic-2.6iupac2-{4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butoxy}-6-(hydroxymethyl)oxane-3,4,5-triolaverage_mass524.5574mono_mass524.225761994smilesCOC1=C(O)C=CC(CC(CO)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C=C2)=C1formulaC26H36O11inchiInChI=1S/C26H36O11/c1-34-20-9-14(3-5-18(20)29)7-16(11-27)17(8-15-4-6-19(30)21(10-15)35-2)13-36-26-25(33)24(32)23(31)22(12-28)37-26/h3-6,9-10,16-17,22-33H,7-8,11-13H2,1-2H3inchikeyDRLPXFRWJUZTMG-UHFFFAOYSA-Npolar_surface_area178.53refractivity131.7polarizability53.53rotatable_bond_count12acceptor_count11donor_count7physiological_charge0formal_charge0Specdb::CMs25917Specdb::CMs45224Specdb::MsMs76164Specdb::MsMs76165Specdb::MsMs76166Specdb::MsMs135939Specdb::MsMs135940Specdb::MsMs135941Specdb::MsMs2677671Specdb::MsMs2677672Specdb::MsMs2677673Specdb::MsMs3030995Specdb::MsMs3030996Specdb::MsMs3030997HMDB37083#<Reference:0x0000555675e20df8>Alcoholic beveragesUnknowngeneric