10-Cyclopentyl-5,6,17,63,70-pentahydroxy-50-(hydroxymethyl)-53-(methylamino)-57-oxo-56-oxahexadecacyclo[41.20.1.116,20.123,27.128,32.134,38.140,43.154,61.01,60.04,18.05,63.07,17.09,14.020,24.046,51.055,59]heptaconta-12,28,30,32(68),34(67),35,37,46(51),47,49,58-undecaen-44-yne-18-carbaldehyde

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 10-Cyclopentyl-5,6,17,63,70-pentahydroxy-50-(hydroxymethyl)-53-(methylamino)-57-oxo-56-oxahexadecacyclo[41.20.1.116,20.123,27.128,32.134,38.140,43.154,61.01,60.04,18.05,63.07,17.09,14.020,24.046,51.055,59]heptaconta-12,28,30,32(68),34(67),35,37,46(51),47,49,58-undecaen-44-yne-18-carbaldehyde
• 英文别名: 10-cyclopentyl-5,6,17,63,70-pentahydroxy-50-(hydroxymethyl)-53-(methylamino)-57-oxo-56-oxahexadecacyclo[41.20.1.116,20.123,27.128,32.134,38.140,43.154,61.01,60.04,18.05,63.07,17.09,14.020,24.046,51.055,59]heptaconta-12,28,30,32(68),34(67),35,37,46(51),47,49,58-undecaen-44-yne-18-carbaldehyde
• 化学式: C₇₇H₉₃NO₉
• 分子量: 1176.6
• InChiKey: RDZRZUFMBANXFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  87
• 可旋转键数：
  4
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  177
• 氢给体数：
  7
• 氢受体数：
  10