2,29,30-Trihydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-55-(2-phenylethyl)-22,60-dioxapentadecacyclo[33.23.1.13,57.120,27.140,43.145,49.151,58.02,32.04,30.07,26.07,29.012,17.021,25.034,39.053,57]tetrahexaconta-12(17),13,15,24,36,45(62),46,48-octaen-10-yne-3-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: 2,29,30-Trihydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-55-(2-phenylethyl)-22,60-dioxapentadecacyclo[33.23.1.13,57.120,27.140,43.145,49.151,58.02,32.04,30.07,26.07,29.012,17.021,25.034,39.053,57]tetrahexaconta-12(17),13,15,24,36,45(62),46,48-octaen-10-yne-3-carbaldehyde
• 英文别名: 2,29,30-trihydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-55-(2-phenylethyl)-22,60-dioxapentadecacyclo[33.23.1.13,57.120,27.140,43.145,49.151,58.02,32.04,30.07,26.07,29.012,17.021,25.034,39.053,57]tetrahexaconta-12(17),13,15,24,36,45(62),46,48-octaen-10-yne-3-carbaldehyde
• 化学式: C₇₃H₈₇NO₈
• 分子量: 1106.5
• InChiKey: JXETVEQYKXJZMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11
• 重原子数：
  82
• 可旋转键数：
  6
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  9