4,5,9-Trihydroxy-3-[[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]-8-(methylamino)-2-oxa-6-azabicyclo[3.3.1]nonane-1-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: 4,5,9-Trihydroxy-3-[[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]-8-(methylamino)-2-oxa-6-azabicyclo[3.3.1]nonane-1-carboxylic acid
• 英文别名: 4,5,9-trihydroxy-3-[[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]-8-(methylamino)-2-oxa-6-azabicyclo[3.3.1]nonane-1-carboxylic acid
• 化学式: C₄₂H₄₅N₃O₁₂
• 分子量: 783.8
• InChiKey: SZZAKXNSMODCGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  57
• 可旋转键数：
  8
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  210
• 氢给体数：
  8
• 氢受体数：
  15