1.0 2010-04-08 22:15:12 UTC 2019-11-26 03:19:18 UTC FDB020690 Piceatannol 4'-galloylglucoside Isolated from Chinese rhubarb (Rheum species). Piceatannol 4'-galloylglucoside is found in green vegetables. (E)-Piceatannol 4'-O-[3,4,5-trihydroxybenzoyl-(->6)-b-D-glucopyranoside] Piceatannol 4'-[3,4,5-trihydroxybenzoyl-(->6)-b-D-glucoside] Piceatannol 4'-[galloyl-(->6)-b-D-glucoside] Piceatannol 4'-O-[3,4,5-trihydroxybenzoyl-(->6)-b-D-glucoside] C27H26O13 558.4875 558.137340918 (6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate (6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate 116107-19-8 OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1- WBKDRBRGYHZWCT-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 Benzoyl derivatives Carboxylic acid esters Galloyl esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Polyols Pyrogallols and derivatives Resorcinols Secondary alcohols Styrenes m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Benzenetriol Benzenoid Benzoate ester Benzoic acid or derivatives Benzoyl Carboxylic acid derivative Carboxylic acid ester Gallic acid or derivatives Galloyl ester Glycosyl compound Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Phenol ether Phenolic glycoside Phenoxy compound Polyol Pyrogallol derivative Resorcinol Secondary alcohol Stilbene glycoside Styrene logp 2.11 ALOGPS logs -3.34 ALOGPS solubility 2.54e-01 g/l ALOGPS logp 2.42 ChemAxon pka_strongest_acidic 8.06 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 558.4875 ChemAxon mono_mass 558.137340918 ChemAxon smiles OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O ChemAxon formula C27H26O13 ChemAxon inchi InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1- ChemAxon inchikey WBKDRBRGYHZWCT-UPHRSURJSA-N ChemAxon polar_surface_area 226.83 ChemAxon refractivity 137.35 ChemAxon polarizability 53.8 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 9 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18217 Specdb::CMs 46997 Specdb::CMs 281950 Specdb::CMs 341902 Specdb::CMs 341903 Specdb::CMs 341904 Specdb::CMs 341905 Specdb::CMs 341906 Specdb::CMs 341907 Specdb::CMs 341908 Specdb::CMs 341909 Specdb::CMs 341910 Specdb::CMs 341911 Specdb::CMs 341912 Specdb::CMs 341913 Specdb::CMs 341914 Specdb::CMs 341915 Specdb::CMs 341916 Specdb::CMs 341917 Specdb::CMs 341918 Specdb::CMs 341919 Specdb::CMs 341920 Specdb::CMs 341921 Specdb::CMs 341922 Specdb::CMs 341923 Specdb::MsMs 306373 Specdb::MsMs 306374 Specdb::MsMs 306375 Specdb::MsMs 350002 Specdb::MsMs 350003 Specdb::MsMs 350004 Specdb::MsMs 2284069 Specdb::MsMs 2284070 Specdb::MsMs 2284071 Specdb::MsMs 3081420 Specdb::MsMs 3081421 Specdb::MsMs 3081422 HMDB40862 #<Reference:0x000055ce2f481e50> Green vegetables Unknown generic