1.0 2010-04-08 22:11:45 UTC 2025-11-19 00:53:50 UTC FDB015290 Liriodendrin Isolated from Eleutherococcus senticosus (Siberian ginseng). Liriodendrin is found in tea. 2-bromo-3-nitrobenzoic Acid Liriodendrin C34H46O18 742.7182 742.268414668 2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 573-44-4 COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3 FFDULTAFAQRACT-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 Alkyl glycosides Anisoles Dialkyl ethers Dimethoxybenzenes Fatty acyl glycosides of mono- and disaccharides Furofuran lignans Furofurans Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Tetrahydrofurans Acetal Alcohol Alkyl aryl ether Alkyl glycoside Anisole Aromatic heteropolycyclic compound Benzenoid Dialkyl ether Dimethoxybenzene Ether Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Furanoid lignan Furofuran Furofuran lignan skeleton Glycosyl compound Hydrocarbon derivative Lignan glycoside M-dimethoxybenzene 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 Tetrahydrofuran logp -0.04 ALOGPS logs -2.85 ALOGPS solubility 1.06e+00 g/l ALOGPS melting_point Mp 269-270° logp -2.6 ChemAxon pka_strongest_acidic 11.9 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{4-[4-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 742.7182 ChemAxon mono_mass 742.268414668 ChemAxon smiles COC1=CC(=CC(OC)=C1OC1OC(CO)C(O)C(O)C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 ChemAxon formula C34H46O18 ChemAxon inchi InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3 ChemAxon inchikey FFDULTAFAQRACT-UHFFFAOYSA-N ChemAxon polar_surface_area 254.14 ChemAxon refractivity 172.32 ChemAxon polarizability 75.48 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 18 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 70986 Specdb::NmrOneD 136170 Specdb::NmrOneD 136171 Specdb::NmrOneD 136172 Specdb::NmrOneD 136173 Specdb::NmrOneD 136174 Specdb::NmrOneD 136175 Specdb::NmrOneD 136176 Specdb::NmrOneD 136177 Specdb::NmrOneD 136178 Specdb::NmrOneD 136179 Specdb::NmrOneD 136180 Specdb::NmrOneD 136181 Specdb::NmrOneD 136182 Specdb::NmrOneD 136183 Specdb::NmrOneD 136184 Specdb::NmrOneD 136185 Specdb::NmrOneD 136186 Specdb::NmrOneD 136187 Specdb::NmrOneD 136188 Specdb::NmrOneD 136189 Specdb::MsMs 9770 Specdb::MsMs 9771 Specdb::MsMs 9772 Specdb::MsMs 10064 Specdb::MsMs 10065 Specdb::MsMs 10066 Specdb::MsMs 16442 Specdb::MsMs 16443 Specdb::MsMs 16444 Specdb::MsMs 16736 Specdb::MsMs 16737 Specdb::MsMs 16738 Specdb::MsMs 2226195 Specdb::MsMs 2227452 Specdb::MsMs 2228527 Specdb::MsMs 2229605 Specdb::MsMs 2229854 Specdb::MsMs 2232061 Specdb::MsMs 2232146 Specdb::MsMs 2234442 Specdb::MsMs 2234473 Specdb::MsMs 2235857 Specdb::MsMs 2237536 Specdb::MsMs 2237989 Specdb::MsMs 2239572 HMDB0036410 Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442