[12,17,70-Trihydroxy-74-(hydroxymethyl)-51-(3-hydroxyphenyl)-76-methoxy-7-oxo-45-(3-oxobutyl)-14-oxa-37,45,47,55-tetrazaheptadecacyclo[50.13.3.210,13.221,28.115,19.126,35.131,34.134,41.146,50.02,58.02,62.09,37.023,28.027,31.036,40.039,44.053,57]heptaheptaconta-1(65),10,12,15(75),16,18,24,26(71),36(40),38,41,43,46(69),49,53,56,59,63,76-nonadecaen-67-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: [12,17,70-Trihydroxy-74-(hydroxymethyl)-51-(3-hydroxyphenyl)-76-methoxy-7-oxo-45-(3-oxobutyl)-14-oxa-37,45,47,55-tetrazaheptadecacyclo[50.13.3.210,13.221,28.115,19.126,35.131,34.134,41.146,50.02,58.02,62.09,37.023,28.027,31.036,40.039,44.053,57]heptaheptaconta-1(65),10,12,15(75),16,18,24,26(71),36(40),38,41,43,46(69),49,53,56,59,63,76-nonadecaen-67-yn-5-yl] acetate
• 英文别名: [12,17,70-trihydroxy-74-(hydroxymethyl)-51-(3-hydroxyphenyl)-76-methoxy-7-oxo-45-(3-oxobutyl)-14-oxa-37,45,47,55-tetrazaheptadecacyclo[50.13.3.210,13.221,28.115,19.126,35.131,34.134,41.146,50.02,58.02,62.09,37.023,28.027,31.036,40.039,44.053,57]heptaheptaconta-1(65),10,12,15(75),16,18,24,26(71),36(40),38,41,43,46(69),49,53,56,59,63,76-nonadecaen-67-yn-5-yl] acetate
• 化学式: C₈₆H₈₈N₄O₁₁
• 分子量: 1353.6
• InChiKey: NBPSCGQGJFGCLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.7
• 重原子数：
  101
• 可旋转键数：
  8
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13