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Troleandomycin

PubChem CID: 202225

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Compound Synonyms TROLEANDOMYCIN, Triacetyloleandomycin, Oleandomycin triacetate, Oleandocetine, Cyclamycin, Tribiocillina, Oleandomycin triacetyl ester, Troleandomicina, Troleandomycine, 2751-09-9, Matromicina, Treolmicina, Triocetin, Troleandomycinum, Evramicina, Oleandomycin, triacetate (ester), oleandomycin triacetate ester, Triacetyloleandomycinum, Triolan, Viamicina, Wytrion, Aovine, Matromycin T, Treis-Micina, Oleandomycin (as troleandomycin), CHEBI:45735, C4DZ64560D, Oleandomycin, triacetyl-, NSC-108166, UNII-C4DZ64560D, Triacetyl ester of oleandomycin, T.A.O., DTXSID2023721, EINECS 220-392-9, WY 651, NSC 108166, AI3-50166, TAO, Triacetyloleandomycin (JAN), Troleandomycine (INN-French), Troleandomycine [INN-French], Troleandomycinum (INN-Latin), Troleandomycinum [INN-Latin], Troleandomicina (INN-Spanish), Troleandomicina [INN-Spanish], TROLEANDOMYCIN (MART.), TROLEANDOMYCIN [MART.], TRIACETYLOLEANDOMYCIN [JAN], TROLEANDOMYCIN (USP IMPURITY), TROLEANDOMYCIN [USP IMPURITY], Troleandomycin (USAN:USP:INN:BAN), Troleandomycin [USAN:USP:INN:BAN], [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate, DTXCID703721, Tekmisin, NSC108166, (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-12-((4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-((2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro(2.13)hexadecan-6-yl acetate, (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-12-[(4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-14-{[2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro[2.13]hexadecan-6-yl acetate, ACETYLOLEANDOMYCIN, Tao (VAN), Tao (TN), Prestwick3_000036, TROLEANDOMYCIN [MI], Troleandomycin (USAN/INN), TROLEANDOMYCIN [INN], BSPBio_000131, TROLEANDOMYCIN [USAN], SCHEMBL125071, TROLEANDOMYCIN [VANDF], BPBio1_000145, CHEMBL564085, TROLEANDOMYCIN [WHO-DD], J01FA08, LQCLVBQBTUVCEQ-QTFUVMRISA-N, HMS2089B10, HMS2095G13, HMS3712G13, EX-A8207, TROLEANDOMYCIN [ORANGE BOOK], BDBM50370258, LMPK04000042, CCG-220036, DB13179, NCGC00179654-01, HY-108881, AB00513798, CS-0031241, NS00001230, D01322, G12808, AB00513798-02, OLEANDOMYCIN (AS TROLEANDOMYCIN) [VANDF], Q1087499, BRD-K38310698-001-01-9, (3R,5R,6R,7S,8R,11R,12S,13R,14S,15S)-12-((4-O-acetyl-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy)-14-((2-O-acetyl-3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-5,7,8,11,13,15-hexamethyl-4,10-dioxo-1,9-dioxaspiro(2.13)hexadec-6-yl acetate, 220-392-9
Prediction Swissadme 0.0
Topological Polar Surface Area 184.0
Hydrogen Bond Donor Count 0.0
Inchi Key LQCLVBQBTUVCEQ-QTFUVMRISA-N
Fcsp3 0.8780487804878049
Rotatable Bond Count 12.0
Heavy Atom Count 57.0
Compound Name Troleandomycin
Prediction Hob Swissadme 0.0
Exact Mass 813.451
Formal Charge 0.0
Monoisotopic Mass 813.451
Isotope Atom Count 0.0
Molecular Complexity 1430.0
Hydrogen Bond Acceptor Count 16.0
Molecular Weight 814.0
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 18.0
Iupac Name [(3R,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[(2S,3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-8-[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] acetate
Total Atom Stereocenter Count 18.0
Total Bond Stereocenter Count 0.0
Prediction Hob 0.0
Esol -6.2429698
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
Smiles C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@@]3(CO3)C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]4C[C@@H]([C@H]([C@@H](O4)C)OC(=O)C)OC)C)C)C)OC(=O)C)C)C)OC(=O)C)N(C)C
Xlogp 4.3
Defined Bond Stereocenter Count 0.0
Molecular Formula C41H67NO15

  • 1. Outgoing r'ship FOUND_IN to/from Porophyllum Ruderale (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients
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