1.0 2020-04-02 17:37:20 UTC 2020-04-02 17:37:21 UTC FDB097250 cis-resveratrol 2-C-glucoside C40H74NO8P 728.005 727.515205345 6-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}cyclohexane-1,2,3,4,5-pentol 6-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}cyclohexane-1,2,3,4,5-pentol [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-15-13-11-9-7-2/h14,16,18-19,21-22,38H,6-13,15,17,20,23-37H2,1-5H3/b16-14-,19-18-,22-21-/t38-/m1/s1 KSFNDKKWDZYJSF-XDBAXXFZSA-N belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. Stilbenes Organic compounds Phenylpropanoids and polyketides Stilbenes Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclitols and derivatives Cyclohexanols Cyclohexylphenols Hydrocarbon derivatives Polyols Resorcinols Styrenes 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alcohol Aromatic homomonocyclic compound Benzenoid Cyclic alcohol Cyclitol or derivatives Cyclohexanol Cyclohexylphenol Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Phenol Polyol Resorcinol Secondary alcohol Stilbene Styrene logp 0.46 ALOGPS logs -2.13 ALOGPS solubility 2.88e+00 g/l ALOGPS logp -0.049 ChemAxon pka_strongest_acidic 9.07 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac 6-{2,4-dihydroxy-6-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl}cyclohexane-1,2,3,4,5-pentol ChemAxon average_mass 728.005 ChemAxon mono_mass 727.515205345 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C40H74NO8P ChemAxon inchi InChI=1S/C40H74NO8P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-15-13-11-9-7-2/h14,16,18-19,21-22,38H,6-13,15,17,20,23-37H2,1-5H3/b16-14-,19-18-,22-21-/t38-/m1/s1 ChemAxon inchikey KSFNDKKWDZYJSF-XDBAXXFZSA-N ChemAxon polar_surface_area 161.84 ChemAxon refractivity 100.59 ChemAxon polarizability 39.4 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 8 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1300363 Specdb::MsMs 1300364 Specdb::MsMs 1300365 Specdb::MsMs 1414948 Specdb::MsMs 1414949 Specdb::MsMs 1414950 Milk (Cow) Type 2 specific 100.0395 450.0 0.161 uM