1.02010-04-08 22:08:10 UTC2019-11-26 03:02:55 UTCFDB008637N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside)Constituent of Moringa oleifera (horseradish tree) (Moringaceae). N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside) is found in fats and oils, herbs and spices, and green vegetables.N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside)N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-O-(tri-O-acetyl-a-L-rhamnopyranoside)C22H29NO9S483.532483.156302221(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate147821-50-9CCO\C(S)=N\CC1=CC=C(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C=C1InChI=1S/C22H29NO9S/c1-6-27-22(33)23-11-16-7-9-17(10-8-16)32-21-20(31-15(5)26)19(30-14(4)25)18(12(2)28-21)29-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,33)/t12-,18-,19+,20+,21-/m0/s1WYFYRQBBNVSDHV-CDEOHPBMSA-N belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.Phenolic glycosidesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbohydrates and carbohydrate conjugatesAromatic heteromonocyclic compoundsAcetalsCarbonyl compoundsCarboxylic acid estersHexosesHydrocarbon derivativesO-glycosyl compoundsOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsOxacyclic compoundsOxanesPhenol ethersPhenoxy compoundsThiocarbamic acid estersTricarboxylic acids and derivativesAcetalAromatic heteromonocyclic compoundBenzenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHexose monosaccharideHydrocarbon derivativeMonocyclic benzene moietyMonosaccharideO-glycosyl compoundOrganic nitrogen compoundOrganic oxideOrganoheterocyclic compoundOrganonitrogen compoundOrganopnictogen compoundOrganosulfur compoundOxacycleOxanePhenol etherPhenolic glycosidePhenoxy compoundThiocarbamic acid derivativeThiocarbamic acid esterTricarboxylic acid or derivativeslogp3.30logs-4.79solubility7.84e-03 g/llogp2.58pka_strongest_acidic8.69pka_strongest_basic-4.3iupac(2S,3S,4R,5R,6S)-4,5-bis(acetyloxy)-6-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetateaverage_mass483.532mono_mass483.156302221smilesCCO\C(S)=N\CC1=CC=C(O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)C=C1formulaC22H29NO9SinchiInChI=1S/C22H29NO9S/c1-6-27-22(33)23-11-16-7-9-17(10-8-16)32-21-20(31-15(5)26)19(30-14(4)25)18(12(2)28-21)29-13(3)24/h7-10,12,18-21H,6,11H2,1-5H3,(H,23,33)/t12-,18-,19+,20+,21-/m0/s1inchikeyWYFYRQBBNVSDHV-CDEOHPBMSA-Npolar_surface_area118.62refractivity118.37polarizability49.7rotatable_bond_count12acceptor_count5donor_count1physiological_charge0formal_charge0Specdb::CMs10204Specdb::CMs134079Specdb::CMs141813Specdb::MsMs89979Specdb::MsMs89980Specdb::MsMs89981Specdb::MsMs153033Specdb::MsMs153034Specdb::MsMs153035Specdb::MsMs3054830Specdb::MsMs3054831Specdb::MsMs3054832Specdb::MsMs3116328Specdb::MsMs3116329Specdb::MsMs3116330HMDB31946#<Reference:0x0000555670be2f00>Fats and oilsUnknowngenericGreen vegetablesUnknowngenericHerbs and SpicesUnknowngeneric