1.0 2010-04-08 22:13:10 UTC 2019-11-26 03:14:57 UTC FDB017557 (+)-7-epi-Syringaresinol 4'-glucoside Constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). (+)-7-epi-Syringaresinol 4'-glucoside is found in tea. (+)-7-epi-Syringaresinol 4'-glucoside (+)-7-epi-Syringaresinol 4'-O-b-D-glucopyranoside (+)-7-epi-Syringaresinol 4'-O-b-D-glucoside C28H36O13 580.5776 580.215591238 2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 617-45-8 COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3 WEKCEGQSIIQPAQ-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 Hexoses Hydrocarbon derivatives Methoxyphenols 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 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 Phenolic glycoside Phenoxy compound Polyol Primary alcohol Secondary alcohol Tetrahydrofuran logp 0.98 ALOGPS logs -3.10 ALOGPS solubility 4.63e-01 g/l ALOGPS logp -0.31 ChemAxon pka_strongest_acidic 9.3 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-{4-[4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 580.5776 ChemAxon mono_mass 580.215591238 ChemAxon smiles COC1=CC(=CC(OC)=C1O)C1OCC2C1COC2C1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1 ChemAxon formula C28H36O13 ChemAxon inchi InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3 ChemAxon inchikey WEKCEGQSIIQPAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 174.99 ChemAxon refractivity 140.17 ChemAxon polarizability 58.91 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 61191 Specdb::MsMs 61192 Specdb::MsMs 61193 Specdb::MsMs 117675 Specdb::MsMs 117676 Specdb::MsMs 117677 Specdb::MsMs 2233850 Specdb::MsMs 2385962 Specdb::MsMs 2385963 Specdb::MsMs 2385964 Specdb::MsMs 2576715 Specdb::MsMs 2576716 Specdb::MsMs 2576717 Specdb::CMs 15599 Specdb::CMs 45741 Specdb::CMs 282555 Specdb::CMs 398357 Specdb::CMs 398358 Specdb::CMs 398359 Specdb::CMs 398360 Specdb::CMs 398361 Specdb::CMs 398362 Specdb::CMs 398363 Specdb::CMs 398364 Specdb::CMs 398365 Specdb::CMs 398366 Specdb::CMs 398367 Specdb::CMs 398368 Specdb::CMs 398369 Specdb::CMs 398370 Specdb::CMs 398371 Specdb::CMs 398372 Specdb::CMs 398373 Specdb::CMs 398374 Specdb::CMs 398375 Specdb::CMs 398376 Specdb::CMs 398377 Specdb::CMs 398378 Specdb::NmrOneD 25342 Specdb::NmrOneD 25343 Specdb::NmrOneD 25344 Specdb::NmrOneD 25345 Specdb::NmrOneD 25346 Specdb::NmrOneD 25347 Specdb::NmrOneD 25348 Specdb::NmrOneD 25349 Specdb::NmrOneD 25350 Specdb::NmrOneD 25351 Specdb::NmrOneD 25352 Specdb::NmrOneD 25353 Specdb::NmrOneD 25354 Specdb::NmrOneD 25355 Specdb::NmrOneD 25356 Specdb::NmrOneD 25357 Specdb::NmrOneD 25358 Specdb::NmrOneD 25359 Specdb::NmrOneD 25360 Specdb::NmrOneD 25361 HMDB38261 #<Reference:0x000055ce31a5f230> Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442