2,29,30,31-Tetrahydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-58-phenylspiro[22,66-dioxaheptadecacyclo[33.29.1.13,63.120,27.140,43.145,49.151,64.02,32.04,30.07,26.07,29.012,17.021,25.034,39.052,62.055,60.055,63]heptaconta-12(17),13,15,24,36,45(68),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-(hydroxymethyl)-19-(methylamino)-23-oxo-58-phenylspiro[22,66-dioxaheptadecacyclo[33.29.1.13,63.120,27.140,43.145,49.151,64.02,32.04,30.07,26.07,29.012,17.021,25.034,39.052,62.055,60.055,63]heptaconta-12(17),13,15,24,36,45(68),46,48-octaen-10-yne-9,1'-cyclopentane]-3-carbaldehyde
• 英文别名: 2,29,30,31-tetrahydroxy-16-(hydroxymethyl)-19-(methylamino)-23-oxo-58-phenylspiro[22,66-dioxaheptadecacyclo[33.29.1.13,63.120,27.140,43.145,49.151,64.02,32.04,30.07,26.07,29.012,17.021,25.034,39.052,62.055,60.055,63]heptaconta-12(17),13,15,24,36,45(68),46,48-octaen-10-yne-9,1'-cyclopentane]-3-carbaldehyde
• 化学式: C₈₁H₉₇NO₉
• 分子量: 1228.6
• InChiKey: RWPZJJUXNYKNHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  91
• 可旋转键数：
  4
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10