1.0 2010-04-08 22:05:04 UTC 2019-11-26 02:56:38 UTC FDB001665 cis-Resveratrol-3,4'-O-beta-diglucoside Cis-resveratrol-3,4'-o-beta-diglucoside is a member of the class of compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Cis-resveratrol-3,4'-o-beta-diglucoside can be found in common grape, which makes cis-resveratrol-3,4'-o-beta-diglucoside a potential biomarker for the consumption of this food product. C26H34O14 570.5398 570.194855796 (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (2S,3R,4S,5S,6R)-2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol (2S,3R,4S,5S,6R)-2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol; glucoside 478083-83-9 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C20H22O8.C6H12O6/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-9,16-26H,10H2;2-11H,1H2/b2-1-;/t16-,17-,18+,19-,20-;2-,3-,4+,5-,6-/m11/s1 WIYHPRVDWYEDQB-QEBSQXKASA-N belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Stilbene glycosides Organic compounds Phenylpropanoids and polyketides Stilbenes Stilbene glycosides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Hemiacetals Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Resorcinols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Glycosyl compound Hemiacetal 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 Resorcinol Secondary alcohol Stilbene glycoside Styrene logp 1.13 ChemAxon pka_strongest_acidic 9.16 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (2S,3R,4S,5S,6R)-2-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 570.5398 ChemAxon mono_mass 570.194855796 ChemAxon smiles OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](OC2=CC=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C26H34O14 ChemAxon inchi InChI=1S/C20H22O8.C6H12O6/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12;7-1-2-3(8)4(9)5(10)6(11)12-2/h1-9,16-26H,10H2;2-11H,1H2/b2-1-;/t16-,17-,18+,19-,20-;2-,3-,4+,5-,6-/m11/s1 ChemAxon inchikey WIYHPRVDWYEDQB-QEBSQXKASA-N ChemAxon polar_surface_area 139.84 ChemAxon refractivity 99.6 ChemAxon polarizability 39.21 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92739 Specdb::MsMs 92740 Specdb::MsMs 92741 Specdb::MsMs 156414 Specdb::MsMs 156415 Specdb::MsMs 156416 Common grape Type 1 specific Vitis vinifera 29760