Name: Davercin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212038841
Cas No:55224-05-0
常用名:Davercin
别名:环酯红霉素, Erythromycin Cyclocarbonate
IUPAC:(4R,7R,8S,9S,10R,11R,13R,15R)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-hydroxy-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3a,7,9,11,13,15-hexamethyl-tetradecahydro-[1,3]dioxolo[4,5-c]oxacyclotetradecane-2,6,14-trione
IUPAC:(4R,7R,8S,9S,10R,11R,13R,15R)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-hydroxy-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3a,7,9,11,13,15-hexamethyl-tetradecahydro-[1,3]dioxolo[4,5-c]oxacyclotetradecane-2,6,14-trione
InChI key:NKLGIWNNVDPGCA-PVRBYLIWSA-N

分子式:C38H65NO14
分子量:759.931
氢键供体数 (HBD):3
氢键受体数 (HBA):13
LogP:4.1753826
SMILES:[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)C2OC(=O)OC2(C)[C@@H](CC)OC(=O)[C@@H]1C
SMILES:[H][C@@]1(C[C@@](C)(OC)[C@@H](O)[C@H](C)O1)O[C@H]1[C@H](C)[C@@H](O[C@]2([H])O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)C2OC(=O)OC2(C)[C@@H](CC)OC(=O)[C@@H]1C

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