[3-Acetyloxy-3-[4,10-dihydroxy-4-methyl-11-(methylamino)-1,2-dithiacyclododec-7-yl]-1-[4-[12-hydroxy-4-(2-hydroxyethyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-8-yl]piperidin-4-yl]propyl] 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: [3-Acetyloxy-3-[4,10-dihydroxy-4-methyl-11-(methylamino)-1,2-dithiacyclododec-7-yl]-1-[4-[12-hydroxy-4-(2-hydroxyethyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-8-yl]piperidin-4-yl]propyl] 2-oxo-1,3,4,4a,5,6,7,8-octahydroquinoline-8a-carboxylate
• 英文别名: [3-acetyloxy-3-[4,10-dihydroxy-4-methyl-11-(methylamino)-1,2-dithiacyclododec-7-yl]-1-[4-[12-hydroxy-4-(2-hydroxyethyl)-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-trien-8-yl]piperidin-4-yl]propyl] 2-oxo-1,3,4,4a,5,6,7,8-octahydroquinoline-8a-carboxylate
• 化学式: C₄₆H₇₁N₃O₁₀S₂
• 分子量: 890.2
• InChiKey: LTMFVICKYUJLDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  61
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  247
• 氢给体数：
  7
• 氢受体数：
  14