Name: Nystatin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212650347
Cas No:1400-61-9
常用名:Nystatin
别名:制霉菌素, Stamycin, Nystavescent, Fungicidin
别名:制霉菌素, Stamycin, Nystavescent, Fungicidin
IUPAC:(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
IUPAC:(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
InChI key:VQOXZBDYSJBXMA-HYTMUFECSA-N

分子式:C47H75NO17
分子量:926.107
氢键供体数 (HBD):12
氢键受体数 (HBA):17
LogP:-1.9383262
SMILES:C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=C\C=C/C=C\C=C/2)[C@@H](O)[C@@H](N)[C@@H]1O |c:54,56,58|
SMILES:C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=C\C=C/C=C\C=C/2)[C@@H](O)[C@@H](N)[C@@H]1O |c:54,56,58|

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