1.0 2010-04-08 22:09:34 UTC 2025-11-18 23:26:07 UTC FDB011301 8-Acetoxy-4'-methoxypinoresinol 4-glucoside Constituent of Olea europaea (olive). 8-Acetoxy-4'-methoxypinoresinol 4-glucoside is found in pomes, fats and oils, and herbs and spices. 8-Acetoxy-4'-methoxypinoresinol 4-glucoside 8-Acetoxy-4'-methoxypinoresinol 4-O-b-D-glucopyranoside C29H36O13 592.5883 592.215591238 1-(3,4-dimethoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate 1-(3,4-dimethoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-tetrahydro-1H-furo[3,4-c]furan-3a-yl acetate COC1=C(OC)C=C(C=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C29H36O13/c1-14(31)42-29-13-39-26(15-5-7-18(35-2)20(9-15)36-3)17(29)12-38-27(29)16-6-8-19(21(10-16)37-4)40-28-25(34)24(33)23(32)22(11-30)41-28/h5-10,17,22-28,30,32-34H,11-13H2,1-4H3 ZKCRENDTQNGLGO-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 Alkyl aryl ethers Alkyl glycosides Anisoles Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dimethoxybenzenes Fatty acyl glycosides of mono- and disaccharides Furofuran lignans Furofurans Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dimethoxybenzene Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furanoid lignan Furofuran Furofuran lignan skeleton Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Lignan glycoside Methoxybenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-dimethoxybenzene O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp 1.57 ALOGPS logs -3.23 ALOGPS solubility 3.52e-01 g/l ALOGPS logp 0.047 ChemAxon pka_strongest_acidic 12.2 ChemAxon pka_strongest_basic -3 ChemAxon iupac 1-(3,4-dimethoxyphenyl)-4-(3-methoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-3a-yl acetate ChemAxon average_mass 592.5883 ChemAxon mono_mass 592.215591238 ChemAxon smiles COC1=C(OC)C=C(C=C1)C1OCC2(OC(C)=O)C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C29H36O13 ChemAxon inchi InChI=1S/C29H36O13/c1-14(31)42-29-13-39-26(15-5-7-18(35-2)20(9-15)36-3)17(29)12-38-27(29)16-6-8-19(21(10-16)37-4)40-28-25(34)24(33)23(32)22(11-30)41-28/h5-10,17,22-28,30,32-34H,11-13H2,1-4H3 ChemAxon inchikey ZKCRENDTQNGLGO-UHFFFAOYSA-N ChemAxon polar_surface_area 171.83 ChemAxon refractivity 141.76 ChemAxon polarizability 60.33 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 12 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12777 Specdb::CMs 43193 Specdb::CMs 282913 Specdb::CMs 424380 Specdb::CMs 424381 Specdb::CMs 424382 Specdb::CMs 424383 Specdb::CMs 424384 Specdb::CMs 424385 Specdb::CMs 424386 Specdb::CMs 424387 Specdb::CMs 424388 Specdb::CMs 424389 Specdb::CMs 424390 Specdb::CMs 424391 Specdb::CMs 424392 Specdb::CMs 424393 Specdb::CMs 424394 Specdb::CMs 424395 Specdb::CMs 424396 Specdb::CMs 424397 Specdb::CMs 424398 Specdb::CMs 424399 Specdb::CMs 424400 Specdb::CMs 424401 Specdb::MsMs 48456 Specdb::MsMs 48457 Specdb::MsMs 48458 Specdb::MsMs 174561 Specdb::MsMs 174562 Specdb::MsMs 174563 Specdb::MsMs 2673134 Specdb::MsMs 2673135 Specdb::MsMs 2673136 Specdb::MsMs 3032984 Specdb::MsMs 3032985 Specdb::MsMs 3032986 HMDB33278 #<Reference:0x000055ce307c4f80> Fats and oils Unknown generic Herbs and Spices Unknown generic Pomes Unknown generic