1.0 2010-04-08 22:11:42 UTC 2019-11-26 03:11:16 UTC FDB015193 (7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside Isolated from Riesling wine. (7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside is found in alcoholic beverages. (7Z,7'R,8'R)-e-Viniferin 3',5'-di-O-b-D-glucopyranoside (7Z,7'R,8'R)-e-Viniferin 3',5'-diglucoside C40H42O16 778.7519 778.247285296 2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 617-45-8 OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=C2C(\C=C/C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1- RPVPDEHWWUFGBW-RJRFIUFISA-N belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 2-arylbenzofuran flavonoids Organic compounds Phenylpropanoids and polyketides 2-arylbenzofuran flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-phenylcoumarans Acetals Alkyl aryl ethers Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Stilbene glycosides Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-phenylcoumaran 2-arylbenzofuran flavonoid Acetal Alcohol Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Coumaran Ether Glycosyl compound Hydrocarbon derivative 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 Stilbene Stilbene glycoside Styrene logp 1.76 ALOGPS logs -3.71 ALOGPS solubility 1.51e-01 g/l ALOGPS logp 1.42 ChemAxon pka_strongest_acidic 8.99 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{3-[6-hydroxy-2-(4-hydroxyphenyl)-4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-3-yl]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 778.7519 ChemAxon mono_mass 778.247285296 ChemAxon smiles OCC1OC(OC2=CC(=CC(OC3OC(CO)C(O)C(O)C3O)=C2)C2C(OC3=C2C(\C=C/C2=CC=C(O)C=C2)=CC(O)=C3)C2=CC=C(O)C=C2)C(O)C(O)C1O ChemAxon formula C40H42O16 ChemAxon inchi InChI=1S/C40H42O16/c41-16-28-32(46)34(48)36(50)39(55-28)52-25-12-21(13-26(15-25)53-40-37(51)35(49)33(47)29(17-42)56-40)31-30-20(4-1-18-2-7-22(43)8-3-18)11-24(45)14-27(30)54-38(31)19-5-9-23(44)10-6-19/h1-15,28-29,31-51H,16-17H2/b4-1- ChemAxon inchikey RPVPDEHWWUFGBW-RJRFIUFISA-N ChemAxon polar_surface_area 268.68 ChemAxon refractivity 194.33 ChemAxon polarizability 78.32 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 16 ChemAxon donor_count 11 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 784699 Specdb::CMs 784700 Specdb::CMs 784701 Specdb::CMs 784702 Specdb::CMs 784703 Specdb::CMs 784704 Specdb::CMs 784705 Specdb::CMs 784706 Specdb::CMs 784707 Specdb::CMs 784708 Specdb::CMs 784709 Specdb::CMs 784710 Specdb::CMs 784711 Specdb::CMs 784712 Specdb::MsMs 84828 Specdb::MsMs 84829 Specdb::MsMs 84830 Specdb::MsMs 146778 Specdb::MsMs 146779 Specdb::MsMs 146780 Specdb::MsMs 2361515 Specdb::MsMs 2361516 Specdb::MsMs 2361517 Specdb::MsMs 2601164 Specdb::MsMs 2601165 Specdb::MsMs 2601166 HMDB36322 #<Reference:0x000055ce3165b8c8> Alcoholic beverages Unknown generic