1.0 2010-04-08 22:09:18 UTC 2025-11-18 23:22:14 UTC FDB010807 (-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside] Constituent of safflower oil cake Carthamus tinctorius. (-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside] is found in fats and oils. (-)-Matairesinol 4'-[apiosyl-(1->2)-glucoside] (-)-Matairesinol 4'-O-[b-D-apiofuranosyl-(1->2)-b-D-glucopyranoside] C31H40O15 652.6403 652.23672061 4-({4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one 4-({4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one 211115-82-1 COC1=C(O)C=CC(CC2C(CC3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)COC2=O)=C1 InChI=1S/C31H40O15/c1-40-21-9-16(3-5-19(21)34)8-18-17(12-42-28(18)38)7-15-4-6-20(22(10-15)41-2)44-29-26(25(36)24(35)23(11-32)45-29)46-30-27(37)31(39,13-33)14-43-30/h3-6,9-10,17-18,23-27,29-30,32-37,39H,7-8,11-14H2,1-2H3 DGVRVIYWXWHLAT-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetals Alkyl aryl ethers Alkyl glycosides Anisoles Carbonyl compounds Carboxylic acid esters Dibenzylbutyrolactone lignans Disaccharides Fatty acyl glycosides of mono- and disaccharides Gamma butyrolactones Hydrocarbon derivatives Lignan lactones Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Primary alcohols Secondary alcohols Tertiary alcohols Tetrahydrofurans 1-hydroxy-2-unsubstituted benzenoid 9,9p-epoxylignan Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dibenzylbutyrolactone Disaccharide Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furanoid lignan Gamma butyrolactone Glycosyl compound Hydrocarbon derivative Lactone Lignan glycoside Lignan lactone Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Primary alcohol Secondary alcohol Tertiary alcohol Tetrahydrofuran Tetrahydrofuran lignan logp 0.81 ALOGPS logs -3.10 ALOGPS solubility 5.24e-01 g/l ALOGPS melting_point Mp 115-116.5° logp -0.25 ChemAxon pka_strongest_acidic 9.94 ChemAxon pka_strongest_basic -3 ChemAxon iupac 4-({4-[(3-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-3-methoxyphenyl}methyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one ChemAxon average_mass 652.6403 ChemAxon mono_mass 652.23672061 ChemAxon smiles COC1=C(O)C=CC(CC2C(CC3=CC(OC)=C(OC4OC(CO)C(O)C(O)C4OC4OCC(O)(CO)C4O)C=C3)COC2=O)=C1 ChemAxon formula C31H40O15 ChemAxon inchi InChI=1S/C31H40O15/c1-40-21-9-16(3-5-19(21)34)8-18-17(12-42-28(18)38)7-15-4-6-20(22(10-15)41-2)44-29-26(25(36)24(35)23(11-32)45-29)46-30-27(37)31(39,13-33)14-43-30/h3-6,9-10,17-18,23-27,29-30,32-37,39H,7-8,11-14H2,1-2H3 ChemAxon inchikey DGVRVIYWXWHLAT-UHFFFAOYSA-N ChemAxon polar_surface_area 223.29 ChemAxon refractivity 154.45 ChemAxon polarizability 65.06 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15901 Specdb::CMs 645774 Specdb::CMs 645775 Specdb::CMs 645776 Specdb::CMs 645777 Specdb::CMs 645778 Specdb::CMs 645779 Specdb::CMs 645780 Specdb::CMs 645781 Specdb::CMs 645782 Specdb::CMs 645783 Specdb::CMs 645784 Specdb::CMs 645785 Specdb::CMs 645786 Specdb::CMs 645787 Specdb::CMs 645788 Specdb::CMs 645789 Specdb::CMs 645790 Specdb::CMs 645791 Specdb::CMs 645792 Specdb::CMs 645793 Specdb::CMs 645794 Specdb::CMs 645795 Specdb::CMs 645796 Specdb::CMs 645797 Specdb::MsMs 96096 Specdb::MsMs 96097 Specdb::MsMs 96098 Specdb::MsMs 160509 Specdb::MsMs 160510 Specdb::MsMs 160511 Specdb::MsMs 2813660 Specdb::MsMs 2813661 Specdb::MsMs 2813662 Specdb::MsMs 2891808 Specdb::MsMs 2891809 Specdb::MsMs 2891810 Specdb::NmrOneD 115518 Specdb::NmrOneD 115519 Specdb::NmrOneD 115520 Specdb::NmrOneD 115521 Specdb::NmrOneD 115522 Specdb::NmrOneD 115523 Specdb::NmrOneD 115524 Specdb::NmrOneD 115525 Specdb::NmrOneD 115526 Specdb::NmrOneD 115527 Specdb::NmrOneD 115528 Specdb::NmrOneD 115529 Specdb::NmrOneD 115530 Specdb::NmrOneD 115531 Specdb::NmrOneD 115532 Specdb::NmrOneD 115533 Specdb::NmrOneD 115534 Specdb::NmrOneD 115535 Specdb::NmrOneD 115536 Specdb::NmrOneD 115537 HMDB32830 #<Reference:0x000055ce31cfe720> Fats and oils Unknown generic