1.0 2010-04-08 22:09:18 UTC 2019-11-26 03:04:06 UTC FDB010783 4-Hydroxyphenylacetonitrile triacetylrhamnoside Constituent of the leaves of the horseradish tree (Moringa oleifera, Moringaceae). 4-Hydroxyphenylacetonitrile triacetylrhamnoside is found in brassicas. 4-Hydroxyphenylacetonitrile O-(tri-O-acetyl-a-L-rhamnopyranoside) 4-Hydroxyphenylacetonitrile O-(tri-O-acetyl-a-L-rhamnoside) 4-Hydroxyphenylacetonitrile O-(tri-O-acetylrhamnoside) 4-Hydroxyphenylacetonitrile triacetylrhamnoside C20H23NO8 405.3985 405.142366717 4,5-bis(acetyloxy)-2-[4-(cyanomethyl)phenoxy]-6-methyloxan-3-yl acetate 4,5-bis(acetyloxy)-2-[4-(cyanomethyl)phenoxy]-6-methyloxan-3-yl acetate 123-07-9 CC1OC(OC2=CC=C(CC#N)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O InChI=1S/C20H23NO8/c1-11-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(25-11)29-16-7-5-15(6-8-16)9-10-21/h5-8,11,17-20H,9H2,1-4H3 CRZLVGUYFBECND-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 Acetals Benzyl cyanides Carbonyl compounds Carboxylic acid esters Hexoses Hydrocarbon derivatives Nitriles O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Tricarboxylic acids and derivatives Acetal Aromatic heteromonocyclic compound Benzenoid Benzyl-cyanide Carbonitrile Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hexose monosaccharide Hydrocarbon derivative Monocyclic benzene moiety Monosaccharide Nitrile O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Phenol ether Phenolic glycoside Phenoxy compound Tricarboxylic acid or derivatives logp 2.54 ALOGPS logs -3.72 ALOGPS solubility 7.69e-02 g/l ALOGPS melting_point Mp 103° (synthetic) logp 1.47 ChemAxon pka_strongest_acidic 14.18 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4,5-bis(acetyloxy)-2-[4-(cyanomethyl)phenoxy]-6-methyloxan-3-yl acetate ChemAxon average_mass 405.3985 ChemAxon mono_mass 405.142366717 ChemAxon smiles CC1OC(OC2=CC=C(CC#N)C=C2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O ChemAxon formula C20H23NO8 ChemAxon inchi InChI=1S/C20H23NO8/c1-11-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(25-11)29-16-7-5-15(6-8-16)9-10-21/h5-8,11,17-20H,9H2,1-4H3 ChemAxon inchikey CRZLVGUYFBECND-UHFFFAOYSA-N ChemAxon polar_surface_area 121.15 ChemAxon refractivity 96.38 ChemAxon polarizability 40.29 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22205 Specdb::MsMs 96906 Specdb::MsMs 96907 Specdb::MsMs 96908 Specdb::MsMs 161508 Specdb::MsMs 161509 Specdb::MsMs 161510 HMDB32809 #<Reference:0x000055ce3160ae00> Brassicas Unknown generic 3705 phenol spice