1.0 2016-05-22 03:47:47 UTC 2026-08-22 14:16:10 UTC Troleandomycin SmallMolecule Troleandomycin is a compound with the chemical formula C41H67NO15. Troleandomycin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 813.98 g/mol, Troleandomycin is a heavy molecule. This substance is found in or released from seven recorded sources, including antibiotics within healthcare, pharmaceuticals, and veterinary products, as well as the processing of meats and the preparation of vinegar in food, food processing, and cookware. It is also associated with electrical and electronic equipment, specifically television systems, video games, relays, and magnets. Recorded routes of exposure for Troleandomycin include oral and inhalation. At the molecular level, Troleandomycin interacts with three recorded protein targets. It acts as an activator or inhibitor of the large ribosomal subunit protein uL4 (rplD), the large ribosomal subunit protein bL32 (rpmF), and the nuclear receptor subfamily 1 group I member 2 (NR1I2). C41H67NO15 813.979 813.451070461 (3S,5R,6S,7S,8R,11R,12S,13R,14S,15S)-14-{[(2S,3R,4S,6R)-3-(acetyloxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-12-{[(2R,4S,5S,6S)-5-(acetyloxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate troleandomycin 2751-09-9 [H][C@@]1(C)C[C@]([H])(N(C)C)[C@@]([H])(OC(C)=O)[C@]([H])(O[C@@]2([H])[C@@]([H])(C)C[C@]3(CO3)C(=O)[C@]([H])(C)[C@@]([H])(OC(C)=O)[C@@]([H])(C)[C@@]([H])(C)OC(=O)[C@]([H])(C)[C@@]([H])(O[C@@]3([H])C[C@]([H])(OC)[C@@]([H])(OC(C)=O)[C@]([H])(C)O3)[C@]2([H])C)O1 InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41-/m0/s1 LQCLVBQBTUVCEQ-MCQAQMIOSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aminoglycosides Acetals Amino acids and derivatives Carboxylic acid esters Dialkyl ethers Epoxides Hydrocarbon derivatives Ketones Lactones Macrolides and analogues Monosaccharides O-glycosyl compounds Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Tetracarboxylic acids and derivatives Trialkylamines Acetal Aliphatic heteropolycyclic compound Amine Amino acid or derivatives Aminoglycoside core Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Ether Glycosyl compound Hydrocarbon derivative Ketone Lactone Macrolide Monosaccharide O-glycosyl compound Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Oxirane Tertiary aliphatic amine Tertiary amine Tetracarboxylic acid or derivatives Aliphatic heteropolycyclic compounds Detected and Not Quantified Troleandomycin Action Pathway SMP0000730 Troleandomycin Drug Metabolism Action Pathway SMP0144935 Troleandomycin Predicted Metabolism Pathway SMP0174819 logp 4.3 logp 3.76 ALOGPS logs -4.63 ALOGPS solubility 1.92e-02 g/l ALOGPS logp 4.3 ChemAxon pka_strongest_acidic 16.75 ChemAxon pka_strongest_basic 7.87 ChemAxon iupac (3S,5R,6S,7S,8R,11R,12S,13R,14S,15S)-14-{[(2S,3R,4S,6R)-3-(acetyloxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-12-{[(2R,4S,5S,6S)-5-(acetyloxy)-4-methoxy-6-methyloxan-2-yl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate ChemAxon average_mass 813.979 ChemAxon mono_mass 813.451070461 ChemAxon smiles [H][C@@]1(C)C[C@]([H])(N(C)C)[C@@]([H])(OC(C)=O)[C@]([H])(O[C@@]2([H])[C@@]([H])(C)C[C@]3(CO3)C(=O)[C@]([H])(C)[C@@]([H])(OC(C)=O)[C@@]([H])(C)[C@@]([H])(C)OC(=O)[C@]([H])(C)[C@@]([H])(O[C@@]3([H])C[C@]([H])(OC)[C@@]([H])(OC(C)=O)[C@]([H])(C)O3)[C@]2([H])C)O1 ChemAxon formula C41H67NO15 ChemAxon inchi InChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40-,41-/m0/s1 ChemAxon inchikey LQCLVBQBTUVCEQ-MCQAQMIOSA-N ChemAxon polar_surface_area 184.19 ChemAxon refractivity 201.15 ChemAxon polarizability 86.05 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 12 ChemAxon donor_count 0 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f5b0980> DB13179 202225 16707 BE0003674 BE0003675 BE0000956