16,42,49,63,65-Pentahydroxy-48-methoxy-20-methyl-52-phenyl-59,60-dithia-5,7,18,23-tetrazaundecacyclo[31.24.4.38,14.12,6.121,24.125,37.138,57.025,30.040,55.046,51.011,66]octahexaconta-2,6(68),8(67),9,11(66),12,14(65),21,24(64),46,48,50-dodecaen-31,53-diyne-41,43-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: 16,42,49,63,65-Pentahydroxy-48-methoxy-20-methyl-52-phenyl-59,60-dithia-5,7,18,23-tetrazaundecacyclo[31.24.4.38,14.12,6.121,24.125,37.138,57.025,30.040,55.046,51.011,66]octahexaconta-2,6(68),8(67),9,11(66),12,14(65),21,24(64),46,48,50-dodecaen-31,53-diyne-41,43-dione
• 英文别名: 16,42,49,63,65-pentahydroxy-48-methoxy-20-methyl-52-phenyl-59,60-dithia-5,7,18,23-tetrazaundecacyclo[31.24.4.38,14.12,6.121,24.125,37.138,57.025,30.040,55.046,51.011,66]octahexaconta-2,6(68),8(67),9,11(66),12,14(65),21,24(64),46,48,50-dodecaen-31,53-diyne-41,43-dione
• 化学式: C₇₀H₈₀N₄O₈S₂
• 分子量: 1169.5
• InChiKey: RXPWUDJHNQIJQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.4
• 重原子数：
  84
• 可旋转键数：
  2
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  247
• 氢给体数：
  9
• 氢受体数：
  13