1.0 2010-04-08 22:14:53 UTC 2025-11-19 02:28:55 UTC FDB020225 Isolariciresinol 4'-O-beta-D-glucoside Constituent of Riesling wine. Isolariciresinol 4'-O-beta-D-glucoside is found in alcoholic beverages. Isolariciresinol 4'-O-b-D-glucoside C26H34O11 522.5416 522.21011193 2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 145748-07-8 COC1=C(O)C=C2C(C(CO)C(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1 InChI=1S/C26H34O11/c1-34-19-7-13-5-14(9-27)16(10-28)22(15(13)8-17(19)30)12-3-4-18(20(6-12)35-2)36-26-25(33)24(32)23(31)21(11-29)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3 LLUBKLPJYIQJPI-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 9,9p-dihydroxyaryltetralin lignans Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives Methoxybenzenes O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetralins 1-aryltetralin lignan 1-hydroxy-2-unsubstituted benzenoid 9,9p-dihydroxyaryltetralin lignan Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteropolycyclic compound Benzenoid Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Lignan glycoside Methoxybenzene Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetralin logp 0.19 ALOGPS logs -3.13 ALOGPS solubility 3.87e-01 g/l ALOGPS logp -0.49 ChemAxon pka_strongest_acidic 10.24 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-{4-[7-hydroxy-2,3-bis(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2-methoxyphenoxy}-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(CO)CC2=C1)C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C=C1 ChemAxon formula C26H34O11 ChemAxon inchi InChI=1S/C26H34O11/c1-34-19-7-13-5-14(9-27)16(10-28)22(15(13)8-17(19)30)12-3-4-18(20(6-12)35-2)36-26-25(33)24(32)23(31)21(11-29)37-26/h3-4,6-8,14,16,21-33H,5,9-11H2,1-2H3 ChemAxon inchikey LLUBKLPJYIQJPI-UHFFFAOYSA-N ChemAxon polar_surface_area 178.53 ChemAxon refractivity 130.02 ChemAxon polarizability 53.76 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 11 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 6866 Specdb::MsMs 6867 Specdb::MsMs 6868 Specdb::MsMs 13538 Specdb::MsMs 13539 Specdb::MsMs 13540 Specdb::MsMs 2270074 Specdb::MsMs 2270075 Specdb::MsMs 2270076 Specdb::MsMs 3072429 Specdb::MsMs 3072430 Specdb::MsMs 3072431 Specdb::NmrOneD 40582 Specdb::NmrOneD 40583 Specdb::NmrOneD 40584 Specdb::NmrOneD 40585 Specdb::NmrOneD 40586 Specdb::NmrOneD 40587 Specdb::NmrOneD 40588 Specdb::NmrOneD 40589 Specdb::NmrOneD 40590 Specdb::NmrOneD 40591 Specdb::NmrOneD 40592 Specdb::NmrOneD 40593 Specdb::NmrOneD 40594 Specdb::NmrOneD 40595 Specdb::NmrOneD 40596 Specdb::NmrOneD 40597 Specdb::NmrOneD 40598 Specdb::NmrOneD 40599 Specdb::NmrOneD 40600 Specdb::NmrOneD 40601 Specdb::CMs 20997 Specdb::CMs 46784 Specdb::CMs 178498 Specdb::CMs 280905 HMDB40471 #<Reference:0x000055ce330a58c8> Alcoholic beverages Unknown generic