[2-[[9,10-Dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] 2-methylbut-2-enoate

• 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-[[9,10-Dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] 2-methylbut-2-enoate
• 英文别名: [2-[[9,10-dihydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-4-yl] 2-methylbut-2-enoate
• 化学式: C₅₉H₉₆O₂₅
• 分子量: 1205.4
• InChiKey: XSQQDTHJAQSLQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  84
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  404
• 氢给体数：
  15
• 氢受体数：
  25