1.0 2020-04-02 17:49:10 UTC 2025-11-19 03:07:51 UTC FDB097327 Oleoside 11-methylester C30H46O3 454.695 454.344695341 2-[(2S,3Z,4S)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid oleoside 11-methyl ester CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1 FMIMFCRXYXVFTA-FUAOEXFOSA-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 Aliphatic heteromonocyclic compounds Acetals Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Enoate esters Hydrocarbon derivatives Iridoids and derivatives Methyl esters Monocyclic monoterpenoids Monosaccharides O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Vinylogous esters Acetal Alcohol Aliphatic heteromonocyclic compound Alpha,beta-unsaturated carboxylic ester Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Enoate ester Glycosyl compound Hydrocarbon derivative Methyl ester Monocyclic monoterpenoid Monosaccharide Monoterpenoid O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secoiridoid-skeleton Secondary alcohol Terpene glycoside Vinylogous ester logp -1.32 ALOGPS logs -1.61 ALOGPS solubility 9.83e+00 g/l ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 3.87 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[(2S,3Z,4S)-3-ethylidene-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]acetic acid ChemAxon average_mass 454.695 ChemAxon mono_mass 454.344695341 ChemAxon smiles CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O ChemAxon formula C30H46O3 ChemAxon inchi InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-22H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,27-,28+,29+,30-/m0/s1 ChemAxon inchikey FMIMFCRXYXVFTA-FUAOEXFOSA-N ChemAxon polar_surface_area 172.21 ChemAxon refractivity 90.12 ChemAxon polarizability 38.67 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 10 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 1237228 Specdb::MsMs 1237229 Specdb::MsMs 1237230 Specdb::MsMs 1352692 Specdb::MsMs 1352693 Specdb::MsMs 1352694 Specdb::MsMs 3610108 Specdb::MsMs 3610109 Specdb::MsMs 3610110 Specdb::MsMs 3610111 Specdb::MsMs 3610112 Specdb::MsMs 3610113 Milk (Cow) Type 2 specific 38.19 103.0 0.76 uM