dimethyl (2R,11R,13S,14S,23S,24S,25S,39R,40R)-14,25-diethyl-24,33-dihydroxy-31,32-dimethoxy-12,22-dioxa-1,9,18,29-tetrazadodecacyclo[23.13.1.16,9.02,23.03,21.05,19.06,17.011,13.028,36.030,35.036,39.014,40]tetraconta-3,5(19),16,20,27,30,32,34-octaene-16,27-dicarboxylate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 冬青素型生物碱
• 英文名称: dimethyl (2R,11R,13S,14S,23S,24S,25S,39R,40R)-14,25-diethyl-24,33-dihydroxy-31,32-dimethoxy-12,22-dioxa-1,9,18,29-tetrazadodecacyclo[23.13.1.16,9.02,23.03,21.05,19.06,17.011,13.028,36.030,35.036,39.014,40]tetraconta-3,5(19),16,20,27,30,32,34-octaene-16,27-dicarboxylate
• 化学式: C₄₄H₅₀N₄O₁₀
• 分子量: 794.9
• InChiKey: QZRIMAMDGWAHPQ-COCUIDIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  58
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  164
• 氢给体数：
  4
• 氢受体数：
  14