7,13,51,54,55,68-Hexahydroxy-45,55-bis(hydroxymethyl)-57-methyl-68-[3-(3-methylbutan-2-yl)oxiran-2-yl]-27,61-dioxa-49,50-dithia-10,76-diazanonadecacyclo[58.8.2.252,59.15,9.110,46.123,35.143,47.158,64.02,60.02,64.012,38.012,46.013,36.016,35.018,23.024,33.026,31.040,45.052,57]heptaheptaconta-5(77),6,8,14,16,29,31,39,41,59(72),65-undecaene-73,75-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: 7,13,51,54,55,68-Hexahydroxy-45,55-bis(hydroxymethyl)-57-methyl-68-[3-(3-methylbutan-2-yl)oxiran-2-yl]-27,61-dioxa-49,50-dithia-10,76-diazanonadecacyclo[58.8.2.252,59.15,9.110,46.123,35.143,47.158,64.02,60.02,64.012,38.012,46.013,36.016,35.018,23.024,33.026,31.040,45.052,57]heptaheptaconta-5(77),6,8,14,16,29,31,39,41,59(72),65-undecaene-73,75-dione
• 化学式: C₈₁H₁₀₀N₂O₁₃S₂
• 分子量: 1373.8
• InChiKey: UWBSBQTWJVIXOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  98
• 可旋转键数：
  5
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  293
• 氢给体数：
  9
• 氢受体数：
  16