22,23,32,36,41,54,66-Heptahydroxy-23,49-bis(hydroxymethyl)-12-methoxy-25-methyl-32-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[42,43-dithia-1,8,21-triazapentadecacyclo[26.23.8.37,13.13,6.118,21.122,40.152,56.03,50.014,19.025,40.026,37.033,59.036,59.045,50.010,64]hexahexaconta-13(63),14,16,18(62),19,29,37,52,54,56(60)-decaene-9,1'-cyclohexane]-39,51-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: 22,23,32,36,41,54,66-Heptahydroxy-23,49-bis(hydroxymethyl)-12-methoxy-25-methyl-32-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[42,43-dithia-1,8,21-triazapentadecacyclo[26.23.8.37,13.13,6.118,21.122,40.152,56.03,50.014,19.025,40.026,37.033,59.036,59.045,50.010,64]hexahexaconta-13(63),14,16,18(62),19,29,37,52,54,56(60)-decaene-9,1'-cyclohexane]-39,51-dione
• 英文别名: 22,23,32,36,41,54,66-heptahydroxy-23,49-bis(hydroxymethyl)-12-methoxy-25-methyl-32-[3-(3-methylbutan-2-yl)oxiran-2-yl]spiro[42,43-dithia-1,8,21-triazapentadecacyclo[26.23.8.37,13.13,6.118,21.122,40.152,56.03,50.014,19.025,40.026,37.033,59.036,59.045,50.010,64]hexahexaconta-13(63),14,16,18(62),19,29,37,52,54,56(60)-decaene-9,1'-cyclohexane]-39,51-dione
• 化学式: C₇₇H₁₀₁N₃O₁₃S₂
• 分子量: 1340.8
• InChiKey: IHLCCEBXSXVJKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  95
• 可旋转键数：
  6
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  309
• 氢给体数：
  10
• 氢受体数：
  16