1.0 2010-04-08 22:13:42 UTC 2019-11-26 03:16:09 UTC FDB018433 Niazicin B Constituent of Moringa oleifera (horseradish tree). Niazicin B is found in fats and oils, herbs and spices, and green vegetables. Niazicin B C17H23NO7S 385.432 385.119522785 (3R,4S,5R,6S)-4,5-dihydroxy-6-[4-({[methoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-2-methyloxan-3-yl acetate (3R,4S,5R,6S)-4,5-dihydroxy-6-[4-({[methoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-2-methyloxan-3-yl acetate 159768-74-8 CO\C([S-])=[NH+]\CC1=CC=C(O[C@@H]2OC(C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)C=C1 InChI=1S/C17H23NO7S/c1-9-15(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/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26)/t9?,13-,14+,15-,16-/m0/s1 HMXLIRAHSHWREJ-QOYWKHHESA-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 Carboximidic acids and derivatives Carboxylic acid esters Hexoses Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds Organosulfur 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 Carboximidic acid derivative Carboxylic acid derivative Carboxylic acid ester Hexose monosaccharide Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic zwitterion 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 2.24 ALOGPS logs -3.33 ALOGPS solubility 1.82e-01 g/l ALOGPS logp 1.75 ChemAxon pka_strongest_acidic 6.5 ChemAxon pka_strongest_basic 2.48 ChemAxon iupac (3R,4S,5R,6S)-4,5-dihydroxy-6-[4-({[methoxy(sulfanyl)methylidene]amino}methyl)phenoxy]-2-methyloxan-3-yl acetate ChemAxon average_mass 385.432 ChemAxon mono_mass 385.119522785 ChemAxon smiles CO\C([S-])=[NH+]\CC1=CC=C(O[C@@H]2OC(C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)C=C1 ChemAxon formula C17H23NO7S ChemAxon inchi InChI=1S/C17H23NO7S/c1-9-15(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/h4-7,9,13-16,20-21H,8H2,1-3H3,(H,18,26)/t9?,13-,14+,15-,16-/m0/s1 ChemAxon inchikey HMXLIRAHSHWREJ-QOYWKHHESA-N ChemAxon polar_surface_area 106.81 ChemAxon refractivity 94.25 ChemAxon polarizability 39.28 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13986 Specdb::CMs 46169 Specdb::MsMs 108081 Specdb::MsMs 108082 Specdb::MsMs 108083 Specdb::MsMs 175218 Specdb::MsMs 175219 Specdb::MsMs 175220 HMDB38952 #<Reference:0x000055ce33556660> Fats and oils Unknown generic Green vegetables Unknown generic Herbs and Spices Unknown generic