13-Benzyl-2,41,42,43-tetrahydroxy-28-(hydroxymethyl)-47-methyl-31-(methylamino)-35-oxo-34,60-dioxahexadecacyclo[44.15.2.13,42.132,39.148,51.153,57.02,44.05,10.05,61.06,12.09,59.019,38.019,41.024,29.033,37.017,66]heptahexaconta-24(29),25,27,36,53(64),54,56-heptaen-15,22-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: 13-Benzyl-2,41,42,43-tetrahydroxy-28-(hydroxymethyl)-47-methyl-31-(methylamino)-35-oxo-34,60-dioxahexadecacyclo[44.15.2.13,42.132,39.148,51.153,57.02,44.05,10.05,61.06,12.09,59.019,38.019,41.024,29.033,37.017,66]heptahexaconta-24(29),25,27,36,53(64),54,56-heptaen-15,22-diyne-3-carbaldehyde
• 英文别名: 13-benzyl-2,41,42,43-tetrahydroxy-28-(hydroxymethyl)-47-methyl-31-(methylamino)-35-oxo-34,60-dioxahexadecacyclo[44.15.2.13,42.132,39.148,51.153,57.02,44.05,10.05,61.06,12.09,59.019,38.019,41.024,29.033,37.017,66]heptahexaconta-24(29),25,27,36,53(64),54,56-heptaen-15,22-diyne-3-carbaldehyde
• 化学式: C₇₆H₈₉NO₉
• 分子量: 1160.5
• InChiKey: IQJZWVORRWSOTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  86
• 可旋转键数：
  5
• 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