[11,16,65-Trihydroxy-23-(hydroxymethyl)-48-(3-hydroxyphenyl)-69-methoxy-57-methyl-6-oxo-42-(3-oxobutyl)-13-oxa-34,42,44,61-tetrazatetradecacyclo[47.8.6.29,12.118,22.125,28.128,31.131,38.143,47.01,53.08,34.014,19.033,37.036,41.059,63]heptaconta-9,11,14,16,18,33(37),35,38,40,43(64),46,53,55,59,62,69-hexadecaen-50-yn-4-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: [11,16,65-Trihydroxy-23-(hydroxymethyl)-48-(3-hydroxyphenyl)-69-methoxy-57-methyl-6-oxo-42-(3-oxobutyl)-13-oxa-34,42,44,61-tetrazatetradecacyclo[47.8.6.29,12.118,22.125,28.128,31.131,38.143,47.01,53.08,34.014,19.033,37.036,41.059,63]heptaconta-9,11,14,16,18,33(37),35,38,40,43(64),46,53,55,59,62,69-hexadecaen-50-yn-4-yl] acetate
• 英文别名: [11,16,65-trihydroxy-23-(hydroxymethyl)-48-(3-hydroxyphenyl)-69-methoxy-57-methyl-6-oxo-42-(3-oxobutyl)-13-oxa-34,42,44,61-tetrazatetradecacyclo[47.8.6.29,12.118,22.125,28.128,31.131,38.143,47.01,53.08,34.014,19.033,37.036,41.059,63]heptaconta-9,11,14,16,18,33(37),35,38,40,43(64),46,53,55,59,62,69-hexadecaen-50-yn-4-yl] acetate
• 化学式: C₈₀H₈₈N₄O₁₁
• 分子量: 1281.6
• InChiKey: SLWYHKYYTHEUKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.9
• 重原子数：
  95
• 可旋转键数：
  8
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  216
• 氢给体数：
  7
• 氢受体数：
  13