[(1S,3S,3aR,4R,5R,6R,7aS)-6-[(1S,2R,3R,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-1-[(E)-2-methylbut-2-enoyl]oxy-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(1S,3S,3aR,4R,5R,6R,7aS)-6-[(1S,2R,3R,6S)-4-acetyloxy-6-hydroxy-2-(2-methoxy-2-oxoethyl)-1,3-dimethyl-7,9-dioxabicyclo[4.2.1]nonan-3-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-1-[(E)-2-methylbut-2-enoyl]oxy-7-methylidene-1,2,3,4,5,6-hexahydroinden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
• 化学式: C₄₁H₅₆O₁₆
• 分子量: 804.9
• InChiKey: ITSDQXUTIHBKJZ-GQCJDPGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  57
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  224
• 氢给体数：
  3
• 氢受体数：
  16