34-Benzyl-5,6,59,65-tetrahydroxy-19-(hydroxymethyl)-16-(methylamino)-12-oxo-13,63-dioxahexadecacyclo[33.26.1.15,58.18,15.139,61.141,45.147,50.155,60.01,37.03,59.04,30.06,28.09,28.010,14.018,23.051,56]octahexaconta-10,18(23),19,21,41,43,45(67),53-octaen-24,31-diyne-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: 34-Benzyl-5,6,59,65-tetrahydroxy-19-(hydroxymethyl)-16-(methylamino)-12-oxo-13,63-dioxahexadecacyclo[33.26.1.15,58.18,15.139,61.141,45.147,50.155,60.01,37.03,59.04,30.06,28.09,28.010,14.018,23.051,56]octahexaconta-10,18(23),19,21,41,43,45(67),53-octaen-24,31-diyne-3-carbaldehyde
• 英文别名: 34-benzyl-5,6,59,65-tetrahydroxy-19-(hydroxymethyl)-16-(methylamino)-12-oxo-13,63-dioxahexadecacyclo[33.26.1.15,58.18,15.139,61.141,45.147,50.155,60.01,37.03,59.04,30.06,28.09,28.010,14.018,23.051,56]octahexaconta-10,18(23),19,21,41,43,45(67),53-octaen-24,31-diyne-3-carbaldehyde
• 化学式: C₇₆H₈₇NO₉
• 分子量: 1158.5
• InChiKey: GVPIGCLLUZNSLH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  86
• 可旋转键数：
  5
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10