1.0 2010-04-08 22:15:25 UTC 2019-11-26 03:19:48 UTC FDB021035 (7'R)-(+)-Lyoniresinol 9'-glucoside Constituent of the bark of Aegle marmelos (bael fruit). (7'R)-(+)-Lyoniresinol 9'-glucoside is found in fruits. (+)-Lyoniresinol 3alpha-O-beta-glucopyranoside (7'R,8R,8'R)-3,3',5,5'-Tetramethoxy-4,4',9,9'-tetrahydroxy-2,7'-cyclolignan 9'-glucoside (7'R,8R,8'R)-3,3',5,5'-Tetramethoxy-4,4',9,9'-tetrahydroxy-2,7'-cyclolignan 9'-O-b-D-glucopyranoside (7'R)-(+)-Lyoniresinol 9'-glucoside C28H38O13 582.5935 582.231241302 2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 87585-32-8 COC1=CC2=C(C(C(COC3OC(CO)C(O)C(O)C3O)C(CO)C2)C2=CC(OC)=C(O)C(OC)=C2)C(OC)=C1O InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3 PQQRNPDHSJDAGV-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 0.22 ALOGPS logs -3.11 ALOGPS solubility 4.56e-01 g/l ALOGPS logp -0.31 ChemAxon pka_strongest_acidic 9.24 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-{[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-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=CC2=C(C(C(COC3OC(CO)C(O)C(O)C3O)C(CO)C2)C2=CC(OC)=C(O)C(OC)=C2)C(OC)=C1O ChemAxon formula C28H38O13 ChemAxon inchi InChI=1S/C28H38O13/c1-36-16-7-13(8-17(37-2)22(16)31)20-15(11-40-28-26(35)25(34)23(32)19(10-30)41-28)14(9-29)5-12-6-18(38-3)24(33)27(39-4)21(12)20/h6-8,14-15,19-20,23,25-26,28-35H,5,9-11H2,1-4H3 ChemAxon inchikey PQQRNPDHSJDAGV-UHFFFAOYSA-N ChemAxon polar_surface_area 196.99 ChemAxon refractivity 143.21 ChemAxon polarizability 59.58 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 13 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 30042 Specdb::NmrOneD 30043 Specdb::NmrOneD 30044 Specdb::NmrOneD 30045 Specdb::NmrOneD 30046 Specdb::NmrOneD 30047 Specdb::NmrOneD 30048 Specdb::NmrOneD 30049 Specdb::NmrOneD 30050 Specdb::NmrOneD 30051 Specdb::NmrOneD 30052 Specdb::NmrOneD 30053 Specdb::NmrOneD 30054 Specdb::NmrOneD 30055 Specdb::NmrOneD 30056 Specdb::NmrOneD 30057 Specdb::NmrOneD 30058 Specdb::NmrOneD 30059 Specdb::NmrOneD 30060 Specdb::NmrOneD 30061 Specdb::MsMs 62868 Specdb::MsMs 62869 Specdb::MsMs 62870 Specdb::MsMs 119682 Specdb::MsMs 119683 Specdb::MsMs 119684 Specdb::MsMs 440502 Specdb::MsMs 452142 Specdb::MsMs 452143 Specdb::MsMs 2332736 Specdb::MsMs 2332737 Specdb::MsMs 2332738 Specdb::MsMs 2632982 Specdb::MsMs 2632983 Specdb::MsMs 2632984 Specdb::CMs 20218 Specdb::CMs 46149 Specdb::CMs 282594 Specdb::CMs 404304 Specdb::CMs 404305 Specdb::CMs 404306 Specdb::CMs 404307 Specdb::CMs 404308 Specdb::CMs 404309 Specdb::CMs 404310 Specdb::CMs 404311 Specdb::CMs 404312 Specdb::CMs 404313 Specdb::CMs 404314 Specdb::CMs 404315 Specdb::CMs 404316 Specdb::CMs 404317 Specdb::CMs 404318 Specdb::CMs 404319 Specdb::CMs 404320 Specdb::CMs 404321 Specdb::CMs 404322 Specdb::CMs 404323 Specdb::CMs 404324 Specdb::CMs 404325 HMDB38922 #<Reference:0x000055ce325c5930> Fruits Unknown generic