6,7,33,47,52,56,65-Heptahydroxy-6,39-bis(hydroxymethyl)-17-methoxy-4-methyl-56-[3-(3-methylbutan-2-yl)oxiran-2-yl]-45,46-dithia-8,23,36-triazaheptadecacyclo[34.23.8.17,48.18,11.116,20.124,27.131,34.163,67.03,51.04,48.010,15.019,24.022,32.034,38.038,43.052,60.055,60]triheptaconta-9,11(73),12,14,16(72),50,58,63(68),64,66-decaen-29-yne-37,49-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: 6,7,33,47,52,56,65-Heptahydroxy-6,39-bis(hydroxymethyl)-17-methoxy-4-methyl-56-[3-(3-methylbutan-2-yl)oxiran-2-yl]-45,46-dithia-8,23,36-triazaheptadecacyclo[34.23.8.17,48.18,11.116,20.124,27.131,34.163,67.03,51.04,48.010,15.019,24.022,32.034,38.038,43.052,60.055,60]triheptaconta-9,11(73),12,14,16(72),50,58,63(68),64,66-decaen-29-yne-37,49-dione
• 英文别名: 6,7,33,47,52,56,65-heptahydroxy-6,39-bis(hydroxymethyl)-17-methoxy-4-methyl-56-[3-(3-methylbutan-2-yl)oxiran-2-yl]-45,46-dithia-8,23,36-triazaheptadecacyclo[34.23.8.17,48.18,11.116,20.124,27.131,34.163,67.03,51.04,48.010,15.019,24.022,32.034,38.038,43.052,60.055,60]triheptaconta-9,11(73),12,14,16(72),50,58,63(68),64,66-decaen-29-yne-37,49-dione
• 化学式: C₇₉H₉₉N₃O₁₃S₂
• 分子量: 1362.8
• InChiKey: MWGCKDJLCKFZHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  97
• 可旋转键数：
  6
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  309
• 氢给体数：
  10
• 氢受体数：
  16