58,59,60,62-Tetrahydroxy-45-(hydroxymethyl)-9-methyl-48-(methylamino)-52-oxo-29-phenyl-51,66-dioxahexadecacyclo[32.28.1.14,21.18,61.110,13.115,19.149,56.03,23.03,26.05,62.025,30.036,55.036,58.041,46.050,54.059,63]octahexaconta-15(67),16,18,41(46),42,44,53-heptaen-32,39-diyne-1-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: 58,59,60,62-Tetrahydroxy-45-(hydroxymethyl)-9-methyl-48-(methylamino)-52-oxo-29-phenyl-51,66-dioxahexadecacyclo[32.28.1.14,21.18,61.110,13.115,19.149,56.03,23.03,26.05,62.025,30.036,55.036,58.041,46.050,54.059,63]octahexaconta-15(67),16,18,41(46),42,44,53-heptaen-32,39-diyne-1-carbaldehyde
• 英文别名: 58,59,60,62-tetrahydroxy-45-(hydroxymethyl)-9-methyl-48-(methylamino)-52-oxo-29-phenyl-51,66-dioxahexadecacyclo[32.28.1.14,21.18,61.110,13.115,19.149,56.03,23.03,26.05,62.025,30.036,55.036,58.041,46.050,54.059,63]octahexaconta-15(67),16,18,41(46),42,44,53-heptaen-32,39-diyne-1-carbaldehyde
• 化学式: C₇₆H₈₉NO₉
• 分子量: 1160.5
• InChiKey: VIHQJOYXZRPUPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  86
• 可旋转键数：
  4
• 环数：
  17.0
• 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