[2-[[6-Amino-2-[[2-[2-[[2-methyl-4-[4-(4-methyltriazol-1-yl)butan-2-yloxy]butan-2-yl]amino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]-3-methylbutyl] (10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl) carbonate

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 喜树碱
• 英文名称: [2-[[6-Amino-2-[[2-[2-[[2-methyl-4-[4-(4-methyltriazol-1-yl)butan-2-yloxy]butan-2-yl]amino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]-3-methylbutyl] (10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl) carbonate
• 英文别名: [2-[[6-amino-2-[[2-[2-[[2-methyl-4-[4-(4-methyltriazol-1-yl)butan-2-yloxy]butan-2-yl]amino]-2-oxoethoxy]acetyl]amino]hexanoyl]amino]-3-methylbutyl] (10,19-diethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl) carbonate
• 化学式: C₅₀H₆₉N₉O₁₂
• 分子量: 988.1
• InChiKey: DEQHPQIQEWAMAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  71
• 可旋转键数：
  27
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  278
• 氢给体数：
  5
• 氢受体数：
  16