10-Cyclopentyl-5,6,17,65-tetrahydroxy-52-(hydroxymethyl)-55-(methylamino)-59-oxo-22,58-dioxahexadecacyclo[43.20.1.120,27.130,34.136,40.142,45.156,63.01,62.04,18.05,65.07,17.09,14.016,21.020,25.048,53.057,61]henheptaconta-12,30(70),31,33,36(69),37,39,48(53),49,51,60-undecaen-46-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-5,6,17,65-tetrahydroxy-52-(hydroxymethyl)-55-(methylamino)-59-oxo-22,58-dioxahexadecacyclo[43.20.1.120,27.130,34.136,40.142,45.156,63.01,62.04,18.05,65.07,17.09,14.016,21.020,25.048,53.057,61]henheptaconta-12,30(70),31,33,36(69),37,39,48(53),49,51,60-undecaen-46-yne-18-carbaldehyde
• 英文别名: 10-cyclopentyl-5,6,17,65-tetrahydroxy-52-(hydroxymethyl)-55-(methylamino)-59-oxo-22,58-dioxahexadecacyclo[43.20.1.120,27.130,34.136,40.142,45.156,63.01,62.04,18.05,65.07,17.09,14.016,21.020,25.048,53.057,61]henheptaconta-12,30(70),31,33,36(69),37,39,48(53),49,51,60-undecaen-46-yne-18-carbaldehyde
• 化学式: C₇₇H₉₃NO₉
• 分子量: 1176.6
• InChiKey: PWUWFZZUKKWQHN-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：
  19.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10