1.0 2010-04-08 22:12:13 UTC 2025-11-19 01:42:22 UTC FDB016060 (E)-Resveratrol 3-(4''-sulfoglucoside) Constituent of Polygonum cuspidatum (Japanese knotweed). (E)-Resveratrol 3-(4''-sulfoglucoside) is found in green vegetables. (E)-1-(3,5-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethylene 3-O-(4-O-sulfo-b-D-glucopyranoside) (E)-Resveratrol 3-(4''-sulfoglucoside) (E)-Resveratrol 3-O-(4-O-sulfo-b-D-glucopyranoside) C20H22O11S 470.447 470.088282236 (4,5-dihydroxy-6-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid (4,5-dihydroxy-6-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid 501-36-0 OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1OS(O)(=O)=O InChI=1S/C20H22O11S/c21-10-16-19(31-32(26,27)28)17(24)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1- AUBJHOOEDBNQCQ-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 Alkyl sulfates Hexoses Hydrocarbon derivatives Monosaccharide sulfates O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenol ethers Phenolic glycosides Phenoxy compounds Primary alcohols Secondary alcohols Styrenes Sulfuric acid monoesters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Alkyl sulfate Aromatic heteromonocyclic compound Benzenoid Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide Monosaccharide sulfate O-glycosyl compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenol ether Phenolic glycoside Phenoxy compound Primary alcohol Secondary alcohol Stilbene glycoside Styrene Sulfate-ester Sulfuric acid ester Sulfuric acid monoester logp 0.13 ALOGPS logs -2.21 ALOGPS solubility 2.93e+00 g/l ALOGPS logp -0.71 ChemAxon pka_strongest_acidic -2.1 ChemAxon pka_strongest_basic -3 ChemAxon iupac (4,5-dihydroxy-6-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}-2-(hydroxymethyl)oxan-3-yl)oxidanesulfonic acid ChemAxon average_mass 470.447 ChemAxon mono_mass 470.088282236 ChemAxon smiles OCC1OC(OC2=CC(\C=C/C3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1OS(O)(=O)=O ChemAxon formula C20H22O11S ChemAxon inchi InChI=1S/C20H22O11S/c21-10-16-19(31-32(26,27)28)17(24)18(25)20(30-16)29-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-25H,10H2,(H,26,27,28)/b2-1- ChemAxon inchikey AUBJHOOEDBNQCQ-UPHRSURJSA-N ChemAxon polar_surface_area 183.21 ChemAxon refractivity 109.59 ChemAxon polarizability 44.55 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9837 Specdb::CMs 45217 Specdb::CMs 133357 Specdb::CMs 141091 Specdb::MsMs 77370 Specdb::MsMs 77371 Specdb::MsMs 77372 Specdb::MsMs 137478 Specdb::MsMs 137479 Specdb::MsMs 137480 Specdb::MsMs 2719491 Specdb::MsMs 2719492 Specdb::MsMs 2719493 Specdb::MsMs 2958639 Specdb::MsMs 2958640 Specdb::MsMs 2958641 Specdb::NmrOneD 138710 Specdb::NmrOneD 138711 Specdb::NmrOneD 138712 Specdb::NmrOneD 138713 Specdb::NmrOneD 138714 Specdb::NmrOneD 138715 Specdb::NmrOneD 138716 Specdb::NmrOneD 138717 Specdb::NmrOneD 138718 Specdb::NmrOneD 138719 Specdb::NmrOneD 138720 Specdb::NmrOneD 138721 Specdb::NmrOneD 138722 Specdb::NmrOneD 138723 Specdb::NmrOneD 138724 Specdb::NmrOneD 138725 Specdb::NmrOneD 138726 Specdb::NmrOneD 138727 Specdb::NmrOneD 138728 Specdb::NmrOneD 138729 HMDB0037076 Green vegetables Unknown generic