1.0 2010-04-08 22:11:34 UTC 2025-11-19 00:51:20 UTC FDB014969 Demethyloleuropein Present in olive fruits and the bark of Syringa vulgaris. Indicator of maturity in olives which increases as the fruit ripens. Demethyloleuropein is found in olive and fruits. Demethyloleuropein C24H30O13 526.4872 526.168641046 (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid (4S,5E,6S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,6-dihydropyran-3-carboxylic acid 52077-55-1 [H][C@]1(CC(=O)OCCC2=CC(O)=C(O)C=C2)\C(=C/C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(O)=O InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1 HKVGJQVJNQRJPO-VTDDDATNSA-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 heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Acetals Aromatic monoterpenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Carboxylic acids Catechols Dicarboxylic acids and derivatives Hydrocarbon derivatives Iridoids and derivatives Monocyclic monoterpenoids Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Sugar acids and derivatives Tyrosols and derivatives Vinylogous esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Acetal Alcohol Aromatic heteromonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Dicarboxylic acid or derivatives Glycosyl compound Hydrocarbon derivative Monocyclic benzene moiety Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Polyol Primary alcohol Secoiridoid-skeleton Secondary alcohol Sugar acid Terpene glycoside Tyrosol derivative Vinylogous ester logp 0.53 ALOGPS logs -2.70 ALOGPS solubility 1.06e+00 g/l ALOGPS melting_point Mp 145-147° logp -0.27 ChemAxon pka_strongest_acidic 4.22 ChemAxon pka_strongest_basic -3 ChemAxon iupac (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid ChemAxon average_mass 526.4872 ChemAxon mono_mass 526.168641046 ChemAxon smiles [H][C@]1(CC(=O)OCCC2=CC(O)=C(O)C=C2)\C(=C/C)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C1C(O)=O ChemAxon formula C24H30O13 ChemAxon inchi InChI=1S/C24H30O13/c1-2-12-13(8-18(28)34-6-5-11-3-4-15(26)16(27)7-11)14(22(32)33)10-35-23(12)37-24-21(31)20(30)19(29)17(9-25)36-24/h2-4,7,10,13,17,19-21,23-27,29-31H,5-6,8-9H2,1H3,(H,32,33)/b12-2+/t13-,17+,19+,20-,21+,23-,24-/m0/s1 ChemAxon inchikey HKVGJQVJNQRJPO-VTDDDATNSA-N ChemAxon polar_surface_area 212.67 ChemAxon refractivity 123.45 ChemAxon polarizability 50.91 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 12 ChemAxon donor_count 7 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 57732 Specdb::MsMs 57733 Specdb::MsMs 57734 Specdb::MsMs 113496 Specdb::MsMs 113497 Specdb::MsMs 113498 HMDB36121 #<Reference:0x000055ce31bda3f8> Fruits Unknown generic Olive Type 1 specific Olea europaea 4146 11.851905 22.555714216 0.0 mg/100 g