Name: Troleandomycin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212674075
Cas No:2751-09-9
常用名:Troleandomycin
别名:醋竹桃霉素, Triacetyloleandomycin, Micotil, Matromycin T, Cyclamycin, Aovine, AI3-50166
别名:醋竹桃霉素, Triacetyloleandomycin, Micotil, Matromycin T, Cyclamycin, Aovine, AI3-50166
IUPAC:(3R,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
IUPAC:(3R,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
InChI key:LQCLVBQBTUVCEQ-QTFUVMRISA-N

分子式:C41H67NO15
分子量:813.979
氢键供体数 (HBD):0
氢键受体数 (HBA):12
LogP:4.298515
SMILES:CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[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]2C)O[C@@H](C)[C@@H]1OC(C)=O
SMILES:CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(C)=O)N(C)C)[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]2C)O[C@@H](C)[C@@H]1OC(C)=O

Troleandomycin (Triacetyloleandomycin) 是一种大环内酯类抗生素，是具有口服活性和特异性的 CYP3A 抑制剂，可诱发记性感言，诱导长期胆汁淤积，可用于研究哮喘疾病。

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