3,4,5-Trihydroxy-6-[[12-hydroxy-24,25-dimethoxy-27-(methylaminomethyl)-22,30-dioxaheptacyclo[17.10.1.13,7.09,14.015,20.021,29.023,28]hentriaconta-3,5,7(31),9(14),10,12,15(20),16,18,23(28),24,26-dodecaen-17-yl]oxy]-2-(methylaminomethyl)oxane-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3,4,5-Trihydroxy-6-[[12-hydroxy-24,25-dimethoxy-27-(methylaminomethyl)-22,30-dioxaheptacyclo[17.10.1.13,7.09,14.015,20.021,29.023,28]hentriaconta-3,5,7(31),9(14),10,12,15(20),16,18,23(28),24,26-dodecaen-17-yl]oxy]-2-(methylaminomethyl)oxane-2-carboxylic acid
• 英文别名: 3,4,5-trihydroxy-6-[[12-hydroxy-24,25-dimethoxy-27-(methylaminomethyl)-22,30-dioxaheptacyclo[17.10.1.13,7.09,14.015,20.021,29.023,28]hentriaconta-3,5,7(31),9(14),10,12,15(20),16,18,23(28),24,26-dodecaen-17-yl]oxy]-2-(methylaminomethyl)oxane-2-carboxylic acid
• 化学式: C₄₁H₄₄N₂O₁₂
• 分子量: 756.8
• InChiKey: YWCAOIJCZWXTHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  55
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  198
• 氢给体数：
  7
• 氢受体数：
  14