(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[[(3S,6aS,8aS,11S,12aR,14bS)-11-carboxylato-4,4,6a,8a,11,14b-hexamethyl-14-oxo-1,2,3,4a,5,6,6b,7,8,9,10,12,12a,14a-tetradecahydropicen-3-yl]oxy]-2-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

• 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: (2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[[(3S,6aS,8aS,11S,12aR,14bS)-11-carboxylato-4,4,6a,8a,11,14b-hexamethyl-14-oxo-1,2,3,4a,5,6,6b,7,8,9,10,12,12a,14a-tetradecahydropicen-3-yl]oxy]-2-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
• 化学式: C41H57O16-3
• 分子量: 805.9
• InChiKey: XIERBHJSURBWRC-NETCODDBSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  57
• 可旋转键数：
  4
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  276
• 氢给体数：
  5
• 氢受体数：
  16