[13,18,67-Trihydroxy-6-(hydroxymethyl)-44-(3-hydroxyphenyl)-74-methoxy-23-oxo-50-(3-oxobutyl)-16-oxa-40,48,50,58-tetrazahexadecacyclo[52.9.4.329,43.217,20.11,66.17,11.145,49.04,63.010,15.021,58.028,33.028,37.038,42.051,56.055,59.060,66]pentaheptaconta-10,12,14,17,19,29,31,35,38,41,45,49(69),51,53,55(59),56,61,73-octadecaen-70-yn-25-yl] acetate

• 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: [13,18,67-Trihydroxy-6-(hydroxymethyl)-44-(3-hydroxyphenyl)-74-methoxy-23-oxo-50-(3-oxobutyl)-16-oxa-40,48,50,58-tetrazahexadecacyclo[52.9.4.329,43.217,20.11,66.17,11.145,49.04,63.010,15.021,58.028,33.028,37.038,42.051,56.055,59.060,66]pentaheptaconta-10,12,14,17,19,29,31,35,38,41,45,49(69),51,53,55(59),56,61,73-octadecaen-70-yn-25-yl] acetate
• 英文别名: [13,18,67-trihydroxy-6-(hydroxymethyl)-44-(3-hydroxyphenyl)-74-methoxy-23-oxo-50-(3-oxobutyl)-16-oxa-40,48,50,58-tetrazahexadecacyclo[52.9.4.329,43.217,20.11,66.17,11.145,49.04,63.010,15.021,58.028,33.028,37.038,42.051,56.055,59.060,66]pentaheptaconta-10,12,14,17,19,29,31,35,38,41,45,49(69),51,53,55(59),56,61,73-octadecaen-70-yn-25-yl] acetate
• 化学式: C₈₄H₈₈N₄O₁₁
• 分子量: 1329.6
• InChiKey: AEHVECYPBJETFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  99
• 可旋转键数：
  8
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13