1.0 2010-04-08 22:09:21 UTC 2025-11-18 23:22:47 UTC FDB010890 Isolariciresinol 9-O-beta-D-glucoside Constituent of Scots pine (Pinus sylvestris) needles. (+)-Isolarisiresinol 2a-O-beta-D-glucopyranoside Isolariciresinol 9-beta-D-glucopyranoside Isolariciresinol 9-O-b-D-glucoside Isolariciresinol 9-O-beta-D-glucopyranoside C26H34O11 522.5416 522.21011193 2-{[6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 63358-11-2 COC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C1 InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3 BUQQDANPHQFSEK-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 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Anisoles Aryltetralin lignans Hexoses Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetralins 1-aryltetralin lignan 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Lignan glycoside Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetralin logp 0.31 ALOGPS logs -3.14 ALOGPS solubility 3.77e-01 g/l ALOGPS logp 0.0096 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-{[6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 522.5416 ChemAxon mono_mass 522.21011193 ChemAxon smiles COC1=C(O)C=C2C(C(CO)C(COC3OC(CO)C(O)C(O)C3O)CC2=C1)C1=CC(OC)=C(O)C=C1 ChemAxon formula C26H34O11 ChemAxon inchi InChI=1S/C26H34O11/c1-34-19-6-12(3-4-17(19)29)22-15-8-18(30)20(35-2)7-13(15)5-14(16(22)9-27)11-36-26-25(33)24(32)23(31)21(10-28)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3 ChemAxon inchikey BUQQDANPHQFSEK-UHFFFAOYSA-N ChemAxon polar_surface_area 178.53 ChemAxon refractivity 130.29 ChemAxon polarizability 54.43 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25529 Specdb::CMs 43020 Specdb::MsMs 90927 Specdb::MsMs 90928 Specdb::MsMs 90929 Specdb::MsMs 154206 Specdb::MsMs 154207 Specdb::MsMs 154208 Specdb::MsMs 2731186 Specdb::MsMs 2731187 Specdb::MsMs 2731188 Specdb::MsMs 2977040 Specdb::MsMs 2977041 Specdb::MsMs 2977042 HMDB32907 #<Reference:0x000055ce30370268>