1.0 2010-04-08 22:13:42 UTC 2019-11-26 03:16:09 UTC FDB018432 Niazicin A Constituent of Moringa oleifera (horseradish tree). Niazicin A is found in fats and oils, herbs and spices, and green vegetables. Niazicin A C34H46N2O14S2 770.864 770.23904557 4,5-dihydroxy-6-(4-{[(E)-[methoxy(sulfanyl)methylidene]amino]methyl}phenoxy)-2-methyloxan-3-yl acetate; 4,5-dihydroxy-6-(4-{[(methoxymethanethioyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate 4,5-dihydroxy-6-(4-{[(E)-[methoxy(sulfanyl)methylidene]amino]methyl}phenoxy)-2-methyloxan-3-yl acetate; 4,5-dihydroxy-6-(4-{[(methoxymethanethioyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate 159768-74-8 COC(=S)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1.CO\C(S)=N/CC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1 InChI=1S/2C17H23NO7S/c2*1-9-15(24-10(2)19)13(20)14(21)16(23-9)25-12-6-4-11(5-7-12)8-18-17(26)22-3/h2*4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26) IQMSLIJFKLWXRI-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 Acetals Carbonyl compounds Carboximidic acids and derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Organosulfur compounds Oxacyclic compounds Oxanes Phenol ethers Phenoxy compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Acetal Alcohol Aromatic heteromonocyclic compound Benzenoid Carbonyl group Carboximidic acid derivative Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative 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 1.34 ChemAxon pka_strongest_acidic 8.76 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 4,5-dihydroxy-6-(4-{[(E)-[methoxy(sulfanyl)methylidene]amino]methyl}phenoxy)-2-methyloxan-3-yl acetate; 4,5-dihydroxy-6-(4-{[(methoxymethanethioyl)amino]methyl}phenoxy)-2-methyloxan-3-yl acetate ChemAxon average_mass 770.864 ChemAxon mono_mass 770.23904557 ChemAxon smiles COC(=S)NCC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1.CO\C(S)=N/CC1=CC=C(OC2OC(C)C(OC(C)=O)C(O)C2O)C=C1 ChemAxon formula C34H46N2O14S2 ChemAxon inchi InChI=1S/2C17H23NO7S/c2*1-9-15(24-10(2)19)13(20)14(21)16(23-9)25-12-6-4-11(5-7-12)8-18-17(26)22-3/h2*4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26) ChemAxon inchikey IQMSLIJFKLWXRI-UHFFFAOYSA-N ChemAxon polar_surface_area 106.48 ChemAxon refractivity 95.32 ChemAxon polarizability 39.09 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107721 Specdb::MsMs 107722 Specdb::MsMs 107723 Specdb::MsMs 174768 Specdb::MsMs 174769 Specdb::MsMs 174770 Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic