1.0 2010-04-08 22:09:17 UTC 2019-11-26 03:04:06 UTC FDB010774 4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside Constituent of seeds of Moringa oleifera (horseradish tree) and Moringa peregrina. 4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside is found in herbs and spices. 4-Hydroxybenzyl isothiocyanate 4''-acetylrhamnoside 4-Hydroxybenzyl isothiocyanate O-(4-O-acetyl-a-L-rhamnopyranoside) C16H19NO6S 353.39 353.093308035 4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyloxan-3-yl acetate 4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyloxan-3-yl acetate 73255-41-1 CC1OC(OC2=CC=C(CN=C=S)C=C2)C(O)C(O)C1OC(C)=O InChI=1S/C16H19NO6S/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3 WVUZLAMBBZISKM-UHFFFAOYSA-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 glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds 1,2-diols Acetals Carbonyl compounds Carboxylic acid esters Hexoses Hydrocarbon derivatives Isothiocyanates Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols 1,2-diol Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hexose monosaccharide Hydrocarbon derivative Isothiocyanate Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Organosulfur compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Propargyl-type 1,3-dipolar organic compound Secondary alcohol logp 2.37 ALOGPS logs -3.32 ALOGPS solubility 1.70e-01 g/l ALOGPS logp 1.71 ChemAxon pka_strongest_acidic 12.26 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4,5-dihydroxy-6-[4-(isothiocyanatomethyl)phenoxy]-2-methyloxan-3-yl acetate ChemAxon average_mass 353.39 ChemAxon mono_mass 353.093308035 ChemAxon smiles CC1OC(OC2=CC=C(CN=C=S)C=C2)C(O)C(O)C1OC(C)=O ChemAxon formula C16H19NO6S ChemAxon inchi InChI=1S/C16H19NO6S/c1-9-15(22-10(2)18)13(19)14(20)16(21-9)23-12-5-3-11(4-6-12)7-17-8-24/h3-6,9,13-16,19-20H,7H2,1-2H3 ChemAxon inchikey WVUZLAMBBZISKM-UHFFFAOYSA-N ChemAxon polar_surface_area 97.58 ChemAxon refractivity 87.67 ChemAxon polarizability 36.17 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 6 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 10277 Specdb::CMs 42969 Specdb::MsMs 10409 Specdb::MsMs 10410 Specdb::MsMs 10411 Specdb::MsMs 17081 Specdb::MsMs 17082 Specdb::MsMs 17083 HMDB32802 #<Reference:0x000055ce307b97c0> Herbs and Spices Unknown generic