1.0 2010-04-08 22:14:25 UTC 2025-11-19 02:20:32 UTC FDB019546 Methyl nomilinate 17-glucoside Isolated from satsuma (Citrus unshiu) peel. Methyl nomilinate 17-glucoside is found in citrus. Methyl nomilinate 17-glucoside C35H50O16 726.7619 726.309885552 5-[1-(acetyloxy)-3-methoxy-3-oxopropyl]-2-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acid 5-[1-(acetyloxy)-3-methoxy-3-oxopropyl]-2-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-tetrahydro-3H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acid COC(=O)CC(OC(C)=O)C1(C)C(CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)C1=COC=C1)C21OC1C(O)=O)C(C)(C)O InChI=1S/C35H50O16/c1-16(37)48-22(13-23(39)46-7)33(5)19-8-10-32(4,35(28(51-35)29(43)44)34(19,6)21(38)12-20(33)31(2,3)45)27(17-9-11-47-15-17)50-30-26(42)25(41)24(40)18(14-36)49-30/h9,11,15,18-20,22,24-28,30,36,40-42,45H,8,10,12-14H2,1-7H3,(H,43,44) UWQVYSUHQUNHFN-UHFFFAOYSA-N belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Terpene glycosides Organic compounds Lipids and lipid-like molecules Prenol lipids Terpene glycosides Aromatic heteropolycyclic compounds Acetals Carboxylic acids Dialkyl ethers Fatty acid esters Furans Heteroaromatic compounds Hydrocarbon derivatives Ketones Methyl esters Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Oxirane carboxylic acids Polyols Primary alcohols Secondary alcohols Sesquiterpenoids Tertiary alcohols Tricarboxylic acids and derivatives Acetal Alcohol Aromatic heteropolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Fatty acid ester Fatty acyl Furan Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Ketone Methyl ester Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Oxirane Oxirane carboxylic acid Oxirane carboxylic acid or derivatives Polyol Primary alcohol Secondary alcohol Sesquiterpenoid Terpene glycoside Tertiary alcohol Tricarboxylic acid or derivatives logp 1.42 ALOGPS logs -3.11 ALOGPS solubility 5.59e-01 g/l ALOGPS logp 0.064 ChemAxon pka_strongest_acidic 3.93 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 5-[1-(acetyloxy)-3-methoxy-3-oxopropyl]-2-[furan-3-yl({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})methyl]-6-(2-hydroxypropan-2-yl)-2,5,8a-trimethyl-8-oxo-octahydro-2H-spiro[naphthalene-1,2'-oxirane]-3'-carboxylic acid ChemAxon average_mass 726.7619 ChemAxon mono_mass 726.309885552 ChemAxon smiles COC(=O)CC(OC(C)=O)C1(C)C(CC(=O)C2(C)C1CCC(C)(C(OC1OC(CO)C(O)C(O)C1O)C1=COC=C1)C21OC1C(O)=O)C(C)(C)O ChemAxon formula C35H50O16 ChemAxon inchi InChI=1S/C35H50O16/c1-16(37)48-22(13-23(39)46-7)33(5)19-8-10-32(4,35(28(51-35)29(43)44)34(19,6)21(38)12-20(33)31(2,3)45)27(17-9-11-47-15-17)50-30-26(42)25(41)24(40)18(14-36)49-30/h9,11,15,18-20,22,24-28,30,36,40-42,45H,8,10,12-14H2,1-7H3,(H,43,44) ChemAxon inchikey UWQVYSUHQUNHFN-UHFFFAOYSA-N ChemAxon polar_surface_area 252.25 ChemAxon refractivity 169.77 ChemAxon polarizability 72.25 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 62576 Specdb::CMs 764824 Specdb::CMs 764825 Specdb::CMs 764826 Specdb::CMs 764827 Specdb::CMs 764828 Specdb::CMs 764829 Specdb::CMs 764830 Specdb::CMs 764831 Specdb::CMs 764832 Specdb::CMs 764833 Specdb::CMs 764834 Specdb::CMs 764835 Specdb::CMs 764836 Specdb::CMs 764837 Specdb::CMs 764838 Specdb::CMs 764839 Specdb::CMs 764840 Specdb::CMs 764841 Specdb::CMs 764842 Specdb::CMs 764843 Specdb::CMs 764844 Specdb::CMs 764845 Specdb::CMs 764846 Specdb::CMs 764847 Specdb::MsMs 11114 Specdb::MsMs 11115 Specdb::MsMs 11116 Specdb::MsMs 17786 Specdb::MsMs 17787 Specdb::MsMs 17788 Specdb::MsMs 2670753 Specdb::MsMs 2670754 Specdb::MsMs 2670755 Specdb::MsMs 3010650 Specdb::MsMs 3010651 Specdb::MsMs 3010652 HMDB39887 #<Reference:0x000055ce3260bb38> Citrus Unknown generic