5,8,9,18,22,28,39-Heptahydroxy-9,34-bis(hydroxymethyl)-11-methyl-18-[3-(3-methylbutan-2-yl)oxiran-2-yl]-49-oxa-3,4-dithia-31,67-diazaheptadecacyclo[32.29.3.36,12.126,30.131,38.137,40.141,53.01,33.06,11.014,23.019,23.033,38.041,60.043,52.045,50.053,58.022,71]triheptaconta-15,26(70),27,29,35,44,46,59,71-nonaen-61-yne-32,73-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: 5,8,9,18,22,28,39-Heptahydroxy-9,34-bis(hydroxymethyl)-11-methyl-18-[3-(3-methylbutan-2-yl)oxiran-2-yl]-49-oxa-3,4-dithia-31,67-diazaheptadecacyclo[32.29.3.36,12.126,30.131,38.137,40.141,53.01,33.06,11.014,23.019,23.033,38.041,60.043,52.045,50.053,58.022,71]triheptaconta-15,26(70),27,29,35,44,46,59,71-nonaen-61-yne-32,73-dione
• 英文别名: 5,8,9,18,22,28,39-heptahydroxy-9,34-bis(hydroxymethyl)-11-methyl-18-[3-(3-methylbutan-2-yl)oxiran-2-yl]-49-oxa-3,4-dithia-31,67-diazaheptadecacyclo[32.29.3.36,12.126,30.131,38.137,40.141,53.01,33.06,11.014,23.019,23.033,38.041,60.043,52.045,50.053,58.022,71]triheptaconta-15,26(70),27,29,35,44,46,59,71-nonaen-61-yne-32,73-dione
• 化学式: C₇₈H₉₈N₂O₁₃S₂
• 分子量: 1335.7
• InChiKey: RRIMLKCNVSKSGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  95
• 可旋转键数：
  5
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  304
• 氢给体数：
  10
• 氢受体数：
  16