9-(1-Cyclopentylethyl)-5,6,13,63-tetrahydroxy-50-(hydroxymethyl)-53-(methylamino)-57-oxo-18,56-dioxahexadecacyclo[41.20.1.123,27.128,32.134,38.140,43.154,61.01,60.04,14.05,63.07,13.012,17.016,21.016,24.046,51.055,59]nonahexaconta-28,30,32(68),34(67),35,37,46(51),47,49,58-decaen-44-yne-14-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: 9-(1-Cyclopentylethyl)-5,6,13,63-tetrahydroxy-50-(hydroxymethyl)-53-(methylamino)-57-oxo-18,56-dioxahexadecacyclo[41.20.1.123,27.128,32.134,38.140,43.154,61.01,60.04,14.05,63.07,13.012,17.016,21.016,24.046,51.055,59]nonahexaconta-28,30,32(68),34(67),35,37,46(51),47,49,58-decaen-44-yne-14-carbaldehyde
• 英文别名: 9-(1-cyclopentylethyl)-5,6,13,63-tetrahydroxy-50-(hydroxymethyl)-53-(methylamino)-57-oxo-18,56-dioxahexadecacyclo[41.20.1.123,27.128,32.134,38.140,43.154,61.01,60.04,14.05,63.07,13.012,17.016,21.016,24.046,51.055,59]nonahexaconta-28,30,32(68),34(67),35,37,46(51),47,49,58-decaen-44-yne-14-carbaldehyde
• 化学式: C₇₇H₉₅NO₉
• 分子量: 1178.6
• InChiKey: GFHVLHQKHPDJRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.3
• 重原子数：
  87
• 可旋转键数：
  5
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10