[1-[6-[[9-(Benzoyloxymethyl)-6-methyl-4-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-8-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

• 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: [1-[6-[[9-(Benzoyloxymethyl)-6-methyl-4-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-8-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
• 英文别名: [1-[6-[[9-(benzoyloxymethyl)-6-methyl-4-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-8-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-8-methoxy-6-methyl-4-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate
• 化学式: C₄₇H₅₆O₂₁
• 分子量: 956.9
• InChiKey: QDMFASNVGVOIEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  68
• 可旋转键数：
  17
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  302
• 氢给体数：
  7
• 氢受体数：
  21