[6-[5-[32-[3-[3-[(3-But-3-enyloxiran-2-yl)methyl]but-3-enyl]oxiran-2-yl]-4-hydroxy-17,21-dimethyl-2,10-dioxo-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxydotriaconta-19,23,27-trienyl]oxolan-2-yl]-4-hydroxy-2-(2-hydroxypropyl)oxan-3-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: [6-[5-[32-[3-[3-[(3-But-3-enyloxiran-2-yl)methyl]but-3-enyl]oxiran-2-yl]-4-hydroxy-17,21-dimethyl-2,10-dioxo-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxydotriaconta-19,23,27-trienyl]oxolan-2-yl]-4-hydroxy-2-(2-hydroxypropyl)oxan-3-yl] hydrogen sulfate
• 英文别名: [6-[5-[32-[3-[3-[(3-but-3-enyloxiran-2-yl)methyl]but-3-enyl]oxiran-2-yl]-4-hydroxy-17,21-dimethyl-2,10-dioxo-6-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxydotriaconta-19,23,27-trienyl]oxolan-2-yl]-4-hydroxy-2-(2-hydroxypropyl)oxan-3-yl] hydrogen sulfate
• 化学式: C₇₁H₁₁₈O₂₄S
• 分子量: 1387.7
• InChiKey: SPWWTKVCQOETFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  96
• 可旋转键数：
  49
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  389
• 氢给体数：
  11
• 氢受体数：
  24