[4-Acetyloxy-12,25,32-trihydroxy-16-[1-(hydroxymethyl)cyclopentyl]-33-[[10-(4-hydroxyphenyl)-5-piperazin-1-yl-9-tricyclo[7.3.1.01,6]trideca-3,7,11-trienyl]methylamino]-25-methylspiro[14-oxa-27,28-dithiahexacyclo[27.2.2.19,13.03,23.08,19.017,34]tetratriaconta-9(34),10,12,30-tetraen-20-yne-7,4'-piperidine]-6-yl] 2-oxo-1,3,4,4a,5,6,7,8-octahydroquinoline-8a-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [4-Acetyloxy-12,25,32-trihydroxy-16-[1-(hydroxymethyl)cyclopentyl]-33-[[10-(4-hydroxyphenyl)-5-piperazin-1-yl-9-tricyclo[7.3.1.01,6]trideca-3,7,11-trienyl]methylamino]-25-methylspiro[14-oxa-27,28-dithiahexacyclo[27.2.2.19,13.03,23.08,19.017,34]tetratriaconta-9(34),10,12,30-tetraen-20-yne-7,4'-piperidine]-6-yl] 2-oxo-1,3,4,4a,5,6,7,8-octahydroquinoline-8a-carboxylate
• 英文别名: [4-acetyloxy-12,25,32-trihydroxy-16-[1-(hydroxymethyl)cyclopentyl]-33-[[10-(4-hydroxyphenyl)-5-piperazin-1-yl-9-tricyclo[7.3.1.01,6]trideca-3,7,11-trienyl]methylamino]-25-methylspiro[14-oxa-27,28-dithiahexacyclo[27.2.2.19,13.03,23.08,19.017,34]tetratriaconta-9(34),10,12,30-tetraen-20-yne-7,4'-piperidine]-6-yl] 2-oxo-1,3,4,4a,5,6,7,8-octahydroquinoline-8a-carboxylate
• 化学式: C₇₈H₁₀₃N₅O₁₁S₂
• 分子量: 1350.8
• InChiKey: YRZQOQAFTSXPQN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  96
• 可旋转键数：
  12
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  282
• 氢给体数：
  9
• 氢受体数：
  17