34-Benzyl-2,5,6-trihydroxy-9,19-bis(hydroxymethyl)-51-methyl-16-(methylamino)-12-oxo-13,61-dioxapentadecacyclo[28.28.1.13,52.18,15.135,57.139,56.141,45.147,50.02,55.05,59.06,28.09,28.010,14.018,23.037,57]pentahexaconta-10,18(23),19,21,41,43,45(64)-heptaen-24,31-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: 34-Benzyl-2,5,6-trihydroxy-9,19-bis(hydroxymethyl)-51-methyl-16-(methylamino)-12-oxo-13,61-dioxapentadecacyclo[28.28.1.13,52.18,15.135,57.139,56.141,45.147,50.02,55.05,59.06,28.09,28.010,14.018,23.037,57]pentahexaconta-10,18(23),19,21,41,43,45(64)-heptaen-24,31-diyne-1-carbaldehyde
• 英文别名: 34-benzyl-2,5,6-trihydroxy-9,19-bis(hydroxymethyl)-51-methyl-16-(methylamino)-12-oxo-13,61-dioxapentadecacyclo[28.28.1.13,52.18,15.135,57.139,56.141,45.147,50.02,55.05,59.06,28.09,28.010,14.018,23.037,57]pentahexaconta-10,18(23),19,21,41,43,45(64)-heptaen-24,31-diyne-1-carbaldehyde
• 化学式: C₇₅H₈₉NO₉
• 分子量: 1148.5
• InChiKey: XMXBEIUVXCSTDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  85
• 可旋转键数：
  6
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  10