7,11,17,61,64,65,73-Heptahydroxy-24,65-bis(hydroxymethyl)-67-methyl-7-[3-(3-methylbutan-2-yl)oxiran-2-yl]-42-oxa-59,60-dithia-20,72-diazaoctadecacyclo[60.5.3.115,19.120,23.122,33.126,57.134,46.03,12.08,12.011,68.022,31.023,57.024,29.034,53.036,45.038,43.046,51.062,67]pentaheptaconta-4,15(75),16,18,27,29,37,39,52,68-decaen-54-yne-70,74-dione

• 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: 7,11,17,61,64,65,73-Heptahydroxy-24,65-bis(hydroxymethyl)-67-methyl-7-[3-(3-methylbutan-2-yl)oxiran-2-yl]-42-oxa-59,60-dithia-20,72-diazaoctadecacyclo[60.5.3.115,19.120,23.122,33.126,57.134,46.03,12.08,12.011,68.022,31.023,57.024,29.034,53.036,45.038,43.046,51.062,67]pentaheptaconta-4,15(75),16,18,27,29,37,39,52,68-decaen-54-yne-70,74-dione
• 英文别名: 7,11,17,61,64,65,73-heptahydroxy-24,65-bis(hydroxymethyl)-67-methyl-7-[3-(3-methylbutan-2-yl)oxiran-2-yl]-42-oxa-59,60-dithia-20,72-diazaoctadecacyclo[60.5.3.115,19.120,23.122,33.126,57.134,46.03,12.08,12.011,68.022,31.023,57.024,29.034,53.036,45.038,43.046,51.062,67]pentaheptaconta-4,15(75),16,18,27,29,37,39,52,68-decaen-54-yne-70,74-dione
• 化学式: C₈₀H₉₈N₂O₁₃S₂
• 分子量: 1359.8
• InChiKey: OXJKUHAUVIXRQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  97
• 可旋转键数：
  5
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16