2,29,30,31-Tetrahydroxy-16,26-bis(hydroxymethyl)-19-(methylamino)-23-oxo-57-phenylspiro[22,64-dioxahexadecacyclo[33.27.1.13,61.120,27.140,43.145,49.151,62.02,32.04,30.07,26.07,29.012,17.021,25.034,39.053,61.055,60]octahexaconta-12(17),13,15,24,36,45(66),46,48-octaen-10-yne-9,1'-cyclopentane]-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: 2,29,30,31-Tetrahydroxy-16,26-bis(hydroxymethyl)-19-(methylamino)-23-oxo-57-phenylspiro[22,64-dioxahexadecacyclo[33.27.1.13,61.120,27.140,43.145,49.151,62.02,32.04,30.07,26.07,29.012,17.021,25.034,39.053,61.055,60]octahexaconta-12(17),13,15,24,36,45(66),46,48-octaen-10-yne-9,1'-cyclopentane]-3-carbaldehyde
• 英文别名: 2,29,30,31-tetrahydroxy-16,26-bis(hydroxymethyl)-19-(methylamino)-23-oxo-57-phenylspiro[22,64-dioxahexadecacyclo[33.27.1.13,61.120,27.140,43.145,49.151,62.02,32.04,30.07,26.07,29.012,17.021,25.034,39.053,61.055,60]octahexaconta-12(17),13,15,24,36,45(66),46,48-octaen-10-yne-9,1'-cyclopentane]-3-carbaldehyde
• 化学式: C₈₀H₉₇NO₁₀
• 分子量: 1232.6
• InChiKey: ZRTYSVCYRKFACK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.6
• 重原子数：
  91
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  186
• 氢给体数：
  7
• 氢受体数：
  11