[12,17,68-Trihydroxy-24-(hydroxymethyl)-49-(3-hydroxyphenyl)-72-methoxy-7-oxo-43-(3-oxobutyl)-14-oxa-35,43,45,53-tetrazapentadecacyclo[48.13.3.210,13.119,23.126,29.129,32.132,39.144,48.02,56.02,60.09,35.015,20.034,38.037,42.051,55]triheptaconta-1(63),10,12,15,17,19,34(38),36,39,41,44(67),47,51,54,57,61,72-heptadecaen-65-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: [12,17,68-Trihydroxy-24-(hydroxymethyl)-49-(3-hydroxyphenyl)-72-methoxy-7-oxo-43-(3-oxobutyl)-14-oxa-35,43,45,53-tetrazapentadecacyclo[48.13.3.210,13.119,23.126,29.129,32.132,39.144,48.02,56.02,60.09,35.015,20.034,38.037,42.051,55]triheptaconta-1(63),10,12,15,17,19,34(38),36,39,41,44(67),47,51,54,57,61,72-heptadecaen-65-yn-5-yl] acetate
• 英文别名: [12,17,68-trihydroxy-24-(hydroxymethyl)-49-(3-hydroxyphenyl)-72-methoxy-7-oxo-43-(3-oxobutyl)-14-oxa-35,43,45,53-tetrazapentadecacyclo[48.13.3.210,13.119,23.126,29.129,32.132,39.144,48.02,56.02,60.09,35.015,20.034,38.037,42.051,55]triheptaconta-1(63),10,12,15,17,19,34(38),36,39,41,44(67),47,51,54,57,61,72-heptadecaen-65-yn-5-yl] acetate
• 化学式: C₈₂H₈₈N₄O₁₁
• 分子量: 1305.6
• InChiKey: KDKVSINRQQICMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  97
• 可旋转键数：
  8
• 环数：
  18.0
• 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