1.0 2010-04-08 22:09:21 UTC 2018-05-28 22:25:21 UTC FDB010889 Isolariciresinol 9'-O-alpha-L-arabinofuranoside Constituent of Scots pine (Pinus sylvestris) needles. Isolariciresinol 9'-O-a-L-arabinofuranoside C25H32O10 492.5156 492.199547244 2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-5-(hydroxymethyl)oxolane-3,4-diol 2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-5-(hydroxymethyl)oxolane-3,4-diol 63358-10-1 COC1=C(O)C=C2C(C(COC3OC(CO)C(O)C3O)C(CO)CC2=C1)C1=CC(OC)=C(O)C=C1 InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3 HLTAJPBMZNNKMA-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 Hydrocarbon derivatives Methoxybenzenes Methoxyphenols O-glycosyl compounds Oxacyclic compounds Pentoses Phenoxy compounds Primary alcohols Secondary alcohols Tetrahydrofurans Tetralins 1-aryltetralin lignan 1-hydroxy-2-unsubstituted benzenoid Acetal Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Ether Glycosyl compound Hydrocarbon derivative Lignan glycoside Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pentose monosaccharide Phenol Phenol ether Phenoxy compound Primary alcohol Secondary alcohol Tetrahydrofuran Tetralin logp 0.70 ALOGPS logs -3.22 ALOGPS solubility 3.00e-01 g/l ALOGPS logp 0.64 ChemAxon pka_strongest_acidic 9.84 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac 2-{[7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy}-5-(hydroxymethyl)oxolane-3,4-diol ChemAxon average_mass 492.5156 ChemAxon mono_mass 492.199547244 ChemAxon smiles COC1=C(O)C=C2C(C(COC3OC(CO)C(O)C3O)C(CO)CC2=C1)C1=CC(OC)=C(O)C=C1 ChemAxon formula C25H32O10 ChemAxon inchi InChI=1S/C25H32O10/c1-32-19-6-12(3-4-17(19)28)22-15-8-18(29)20(33-2)7-13(15)5-14(9-26)16(22)11-34-25-24(31)23(30)21(10-27)35-25/h3-4,6-8,14,16,21-31H,5,9-11H2,1-2H3 ChemAxon inchikey HLTAJPBMZNNKMA-UHFFFAOYSA-N ChemAxon polar_surface_area 158.3 ChemAxon refractivity 124.32 ChemAxon polarizability 51.19 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11987 Specdb::CMs 43019 Specdb::CMs 150140 Specdb::MsMs 70530 Specdb::MsMs 70531 Specdb::MsMs 70532 Specdb::MsMs 129045 Specdb::MsMs 129046 Specdb::MsMs 129047 Specdb::MsMs 2454841 Specdb::MsMs 2454842 Specdb::MsMs 2454843 Specdb::MsMs 2484549 Specdb::MsMs 2484550 Specdb::MsMs 2484551 HMDB32906 #<Reference:0x000055ce325d8648>