Name: Aplyronine B
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217584229
Cas No:151923-85-2
常用名:Aplyronine B
IUPAC:4-(acetyloxy)-11-(16-{[2-(dimethylamino)-3-methoxypropanoyl]oxy}-18-hydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl)-10-hydroxy-3,5,9-trimethyl-1-(N-methylformamido)dodec-1-en-6-yl 2-(dimethylamino)propanoate
IUPAC:4-(acetyloxy)-11-(16-{[2-(dimethylamino)-3-methoxypropanoyl]oxy}-18-hydroxy-6,12-dimethoxy-8,11,15,17-tetramethyl-24-oxo-1-oxacyclotetracosa-4,10,20,22-tetraen-2-yl)-10-hydroxy-3,5,9-trimethyl-1-(N-methylformamido)dodec-1-en-6-yl 2-(dimethylamino)propanoate
InChI key:LBWIGLNHANBXDK-UHFFFAOYSA-N

分子式:C59H101N3O14
分子量:1076.464
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COCC(N(C)C)C(=O)OC1C(C)CCC(OC)C(C)=CCC(C)CC(OC)C=CCC(OC(=O)C=CC=CCC(O)C1C)C(C)C(O)C(C)CCC(OC(=O)C(C)N(C)C)C(C)C(OC(C)=O)C(C)C=CN(C)C=O
SMILES:COCC(N(C)C)C(=O)OC1C(C)CCC(OC)C(C)=CCC(C)CC(OC)C=CCC(OC(=O)C=CC=CCC(O)C1C)C(C)C(O)C(C)CCC(OC(=O)C(C)N(C)C)C(C)C(OC(C)=O)C(C)C=CN(C)C=O

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