1.0 2010-04-08 22:14:02 UTC 2019-11-26 03:16:56 UTC FDB018954 Piceatannol 3,4'-diglucoside Constituent of Rheum undulatum (rhubarb). Piceatannol 3,4'-diglucoside is found in green vegetables. Piceatannol 3,4'-diglucoside C26H32O14 568.5239 568.179205732 2-{3-hydroxy-5-[(Z)-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 2-{3-hydroxy-5-[(Z)-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol 282736-93-0 OCC1OC(OC2=CC(\C=C/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)=CC(O)=C2)C(O)C(O)C1O InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-6-12(5-13(29)8-14)2-1-11-3-4-16(15(30)7-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1- UWGYRKQDXBYOFK-UPHRSURJSA-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 Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Hydrocarbon derivatives Monosaccharides O-glycosyl compounds Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Primary alcohols Secondary alcohols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid 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 glycoside Styrene logp -0.68 ALOGPS logs -2.64 ALOGPS solubility 1.29e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 9.17 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 2-{3-hydroxy-5-[(Z)-2-(3-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 568.5239 ChemAxon mono_mass 568.179205732 ChemAxon smiles OCC1OC(OC2=CC(\C=C/C3=CC(O)=C(OC4OC(CO)C(O)C(O)C4O)C=C3)=CC(O)=C2)C(O)C(O)C1O ChemAxon formula C26H32O14 ChemAxon inchi InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-6-12(5-13(29)8-14)2-1-11-3-4-16(15(30)7-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1- ChemAxon inchikey UWGYRKQDXBYOFK-UPHRSURJSA-N ChemAxon polar_surface_area 239.22 ChemAxon refractivity 133.73 ChemAxon polarizability 55.65 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 14 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 32642 Specdb::NmrOneD 32643 Specdb::NmrOneD 32644 Specdb::NmrOneD 32645 Specdb::NmrOneD 32646 Specdb::NmrOneD 32647 Specdb::NmrOneD 32648 Specdb::NmrOneD 32649 Specdb::NmrOneD 32650 Specdb::NmrOneD 32651 Specdb::NmrOneD 32652 Specdb::NmrOneD 32653 Specdb::NmrOneD 32654 Specdb::NmrOneD 32655 Specdb::NmrOneD 32656 Specdb::NmrOneD 32657 Specdb::NmrOneD 32658 Specdb::NmrOneD 32659 Specdb::NmrOneD 32660 Specdb::NmrOneD 32661 Specdb::MsMs 67836 Specdb::MsMs 67837 Specdb::MsMs 67838 Specdb::MsMs 125733 Specdb::MsMs 125734 Specdb::MsMs 125735 Specdb::MsMs 2446924 Specdb::MsMs 2446925 Specdb::MsMs 2446926 Specdb::MsMs 2518344 Specdb::MsMs 2518345 Specdb::MsMs 2518346 Specdb::CMs 20572 Specdb::CMs 46389 Specdb::CMs 282189 Specdb::CMs 364318 Specdb::CMs 364319 Specdb::CMs 364320 Specdb::CMs 364321 Specdb::CMs 364322 Specdb::CMs 364323 Specdb::CMs 364324 Specdb::CMs 364325 Specdb::CMs 364326 Specdb::CMs 364327 Specdb::CMs 364328 Specdb::CMs 364329 Specdb::CMs 364330 Specdb::CMs 364331 Specdb::CMs 364332 Specdb::CMs 364333 Specdb::CMs 364334 Specdb::CMs 364335 Specdb::CMs 364336 Specdb::CMs 364337 Specdb::CMs 364338 Specdb::CMs 364339 HMDB39384 #<Reference:0x000055ce321f9f18> Green vegetables Unknown generic