Name: Tildipirosin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212005334
Cas No:328898-40-4
常用名:Tildipirosin
IUPAC:(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-[2-(piperidin-1-yl)ethyl]-15-[(piperidin-1-yl)methyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione
IUPAC:(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-[2-(piperidin-1-yl)ethyl]-15-[(piperidin-1-yl)methyl]-1-oxacyclohexadeca-11,13-diene-2,10-dione
InChI key:HNDXPZPJZGTJLJ-GGUOZUDBSA-N

分子式:C41H71N3O8
分子量:734.032
氢键供体数 (HBD):3
氢键受体数 (HBA):10
LogP:4.4566956
SMILES:[H][C@@]1(O[C@H]2[C@@H](CCN3CCCCC3)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CN3CCCCC3)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C |t:19,22|
SMILES:[H][C@@]1(O[C@H]2[C@@H](CCN3CCCCC3)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CN3CCCCC3)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C |t:19,22|

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