Name: Espinomycin A2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219600366
Cas No:40867-12-7
常用名:Espinomycin A2
IUPAC:6-{[4-(dimethylamino)-5-hydroxy-6-{[10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 2-methylpropanoate
IUPAC:6-{[4-(dimethylamino)-5-hydroxy-6-{[10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-4-(propanoyloxy)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy}-2-methyloxan-3-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 2-methylpropanoate
InChI key:WJUDKPIZRQOBLE-UHFFFAOYSA-N

分子式:C42H69NO15
分子量:828.006
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(C2O)N(C)C)C1OC
SMILES:CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)C(C)C)C(C)O3)C(C2O)N(C)C)C1OC

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