[12,17,72-Trihydroxy-74-(hydroxymethyl)-53-(3-hydroxyphenyl)-76-methoxy-7-oxo-47-(3-oxobutyl)-14-oxa-39,47,49,57-tetrazaheptadecacyclo[52.13.3.210,13.221,33.115,19.128,43.148,52.02,60.02,64.09,39.023,33.026,30.028,37.030,34.038,42.041,46.055,59]heptaheptaconta-1(67),10,12,15(75),16,18,35,38(42),40,43,45,48(71),51,55,58,61,65,76-octadecaen-69-yn-5-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: [12,17,72-Trihydroxy-74-(hydroxymethyl)-53-(3-hydroxyphenyl)-76-methoxy-7-oxo-47-(3-oxobutyl)-14-oxa-39,47,49,57-tetrazaheptadecacyclo[52.13.3.210,13.221,33.115,19.128,43.148,52.02,60.02,64.09,39.023,33.026,30.028,37.030,34.038,42.041,46.055,59]heptaheptaconta-1(67),10,12,15(75),16,18,35,38(42),40,43,45,48(71),51,55,58,61,65,76-octadecaen-69-yn-5-yl] acetate
• 英文别名: [12,17,72-trihydroxy-74-(hydroxymethyl)-53-(3-hydroxyphenyl)-76-methoxy-7-oxo-47-(3-oxobutyl)-14-oxa-39,47,49,57-tetrazaheptadecacyclo[52.13.3.210,13.221,33.115,19.128,43.148,52.02,60.02,64.09,39.023,33.026,30.028,37.030,34.038,42.041,46.055,59]heptaheptaconta-1(67),10,12,15(75),16,18,35,38(42),40,43,45,48(71),51,55,58,61,65,76-octadecaen-69-yn-5-yl] acetate
• 化学式: C₈₆H₉₀N₄O₁₁
• 分子量: 1355.7
• InChiKey: KVRQWIXCFHQWHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  101
• 可旋转键数：
  8
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13