28-Amino-48-ethyl-8-methoxy-12-(2-methylpropyl)-40,46,51-trioxa-27,29-diazanonacyclo[30.11.4.218,21.12,6.15,9.010,15.036,47.041,45.017,50]henpentaconta-1(44),5(50),6,8,10,12,14,19,27,41(45),42-undecaen-38-yne-3,13,23-triol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 28-Amino-48-ethyl-8-methoxy-12-(2-methylpropyl)-40,46,51-trioxa-27,29-diazanonacyclo[30.11.4.218,21.12,6.15,9.010,15.036,47.041,45.017,50]henpentaconta-1(44),5(50),6,8,10,12,14,19,27,41(45),42-undecaen-38-yne-3,13,23-triol
• 英文别名: 28-amino-48-ethyl-8-methoxy-12-(2-methylpropyl)-40,46,51-trioxa-27,29-diazanonacyclo[30.11.4.218,21.12,6.15,9.010,15.036,47.041,45.017,50]henpentaconta-1(44),5(50),6,8,10,12,14,19,27,41(45),42-undecaen-38-yne-3,13,23-triol
• 化学式: C₅₃H₆₇N₃O₇
• 分子量: 858.1
• InChiKey: VZDATRDRWIJSTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.7
• 重原子数：
  63
• 可旋转键数：
  4
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  148
• 氢给体数：
  5
• 氢受体数：
  8