1.0 2010-04-08 22:15:25 UTC 2025-11-19 02:35:09 UTC FDB021034 (+)-Lyoniresinol 9-glucoside Constituent of the bark of Aegle marmelos (bael fruit). (+)-Lyoniresinol 9-glucoside is found in fruits. (+)-Lyoniresinol 9-glucoside (+)-Lyoniresinol 9-O-b-D-glucopyranoside C28H38O13 582.5935 582.231241302 2-{[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 109-04-6 COC1=CC(=CC(OC)=C1O)C1C(CO)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C(OC)=C12 InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3 PACBNJFGEWTGCE-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 Anisoles Aryltetralin lignans Dimethoxybenzenes Hexoses Hydrocarbon derivatives Methoxyphenols O-glycosyl compounds Oxacyclic compounds Oxanes Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetralins 1-aryltetralin lignan Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Dimethoxybenzene Ether Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Lignan glycoside M-dimethoxybenzene 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 0.23 ALOGPS logs -3.13 ALOGPS solubility 4.34e-01 g/l ALOGPS logp -0.31 ChemAxon pka_strongest_acidic 9.24 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-{[6-hydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-5,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 582.5935 ChemAxon mono_mass 582.231241302 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1C(CO)C(COC2OC(CO)C(O)C(O)C2O)CC2=CC(OC)=C(O)C(OC)=C12 ChemAxon formula C28H38O13 ChemAxon inchi InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(9-29)14(5-12-6-18(38-3)24(33)27(39-4)21(12)20)11-40-28-26(35)25(34)23(32)19(10-30)41-28/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3 ChemAxon inchikey PACBNJFGEWTGCE-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 143.21 ChemAxon polarizability 59.8 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 44882 Specdb::NmrOneD 44883 Specdb::NmrOneD 44884 Specdb::NmrOneD 44885 Specdb::NmrOneD 44886 Specdb::NmrOneD 44887 Specdb::NmrOneD 44888 Specdb::NmrOneD 44889 Specdb::NmrOneD 44890 Specdb::NmrOneD 44891 Specdb::NmrOneD 44892 Specdb::NmrOneD 44893 Specdb::NmrOneD 44894 Specdb::NmrOneD 44895 Specdb::NmrOneD 44896 Specdb::NmrOneD 44897 Specdb::NmrOneD 44898 Specdb::NmrOneD 44899 Specdb::NmrOneD 44900 Specdb::NmrOneD 44901 Specdb::MsMs 11069 Specdb::MsMs 11070 Specdb::MsMs 11071 Specdb::MsMs 17741 Specdb::MsMs 17742 Specdb::MsMs 17743 Specdb::MsMs 2660179 Specdb::MsMs 2660180 Specdb::MsMs 2660181 Specdb::MsMs 3018420 Specdb::MsMs 3018421 Specdb::MsMs 3018422 Specdb::CMs 13885 Specdb::CMs 47147 Specdb::CMs 282595 Specdb::CMs 404429 Specdb::CMs 404430 Specdb::CMs 404431 Specdb::CMs 404432 Specdb::CMs 404433 Specdb::CMs 404434 Specdb::CMs 404435 Specdb::CMs 404436 Specdb::CMs 404437 Specdb::CMs 404438 Specdb::CMs 404439 Specdb::CMs 404440 Specdb::CMs 404441 Specdb::CMs 404442 Specdb::CMs 404443 Specdb::CMs 404444 Specdb::CMs 404445 Specdb::CMs 404446 Specdb::CMs 404447 Specdb::CMs 404448 Specdb::CMs 404449 Specdb::CMs 404450 HMDB41148 #<Reference:0x000055ce32646210> Fruits Unknown generic