16,40,41,42-Tetrahydroxy-55-(hydroxymethyl)-52-(methylamino)-48-oxo-6-phenylspiro[19,49-dioxaheptadecacyclo[39.24.1.112,20.117,36.122,26.128,31.144,51.05,10.09,13.013,18.015,66.016,39.032,37.042,64.045,64.046,50.054,59]henheptaconta-22,24,26(70),34,46,54(59),55,57-octaen-2,60-diyne-62,1'-cyclopentane]-15-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: 16,40,41,42-Tetrahydroxy-55-(hydroxymethyl)-52-(methylamino)-48-oxo-6-phenylspiro[19,49-dioxaheptadecacyclo[39.24.1.112,20.117,36.122,26.128,31.144,51.05,10.09,13.013,18.015,66.016,39.032,37.042,64.045,64.046,50.054,59]henheptaconta-22,24,26(70),34,46,54(59),55,57-octaen-2,60-diyne-62,1'-cyclopentane]-15-carbaldehyde
• 英文别名: 16,40,41,42-tetrahydroxy-55-(hydroxymethyl)-52-(methylamino)-48-oxo-6-phenylspiro[19,49-dioxaheptadecacyclo[39.24.1.112,20.117,36.122,26.128,31.144,51.05,10.09,13.013,18.015,66.016,39.032,37.042,64.045,64.046,50.054,59]henheptaconta-22,24,26(70),34,46,54(59),55,57-octaen-2,60-diyne-62,1'-cyclopentane]-15-carbaldehyde
• 化学式: C₈₂H₉₅NO₉
• 分子量: 1238.6
• InChiKey: WFNSCZDZEDHUNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.2
• 重原子数：
  92
• 可旋转键数：
  4
• 环数：
  20.0
• 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