2-[[2-[2-[6-Hydroxy-7-methyl-5-oxo-3-(3,8,16-trihydroxy-9,15-dimethyl-7-oxo-12-propan-2-yl-2-oxatetracyclo[8.6.1.05,17.011,15]heptadeca-5,8,10(17)-trien-3-yl)cyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]-2-oxoethyl]amino]ethanesulfonic acid

• 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: 2-[[2-[2-[6-Hydroxy-7-methyl-5-oxo-3-(3,8,16-trihydroxy-9,15-dimethyl-7-oxo-12-propan-2-yl-2-oxatetracyclo[8.6.1.05,17.011,15]heptadeca-5,8,10(17)-trien-3-yl)cyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]-2-oxoethyl]amino]ethanesulfonic acid
• 英文别名: 2-[[2-[2-[6-hydroxy-7-methyl-5-oxo-3-(3,8,16-trihydroxy-9,15-dimethyl-7-oxo-12-propan-2-yl-2-oxatetracyclo[8.6.1.05,17.011,15]heptadeca-5,8,10(17)-trien-3-yl)cyclohepta-1,3,6-trien-1-yl]-1-methyl-3-propan-2-ylcyclopentyl]-2-oxoethyl]amino]ethanesulfonic acid
• 化学式: C₄₂H₅₇NO₁₁S
• 分子量: 784.0
• InChiKey: ICNAROAALVLDJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  55
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  216
• 氢给体数：
  6
• 氢受体数：
  12