2-[28-Amino-48-ethyl-3,13,23-trihydroxy-33-(hydroxymethyl)-8-methoxy-12-(2-methylpropyl)spiro[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-25,2'-cyclopentane]-1'-yl]acetaldehyde

• 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: 2-[28-Amino-48-ethyl-3,13,23-trihydroxy-33-(hydroxymethyl)-8-methoxy-12-(2-methylpropyl)spiro[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-25,2'-cyclopentane]-1'-yl]acetaldehyde
• 英文别名: 2-[28-amino-48-ethyl-3,13,23-trihydroxy-33-(hydroxymethyl)-8-methoxy-12-(2-methylpropyl)spiro[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-25,2'-cyclopentane]-1'-yl]acetaldehyde
• 化学式: C₆₀H₇₇N₃O₉
• 分子量: 984.3
• InChiKey: WMLQLXMLQCQKGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  72
• 可旋转键数：
  7
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  185
• 氢给体数：
  6
• 氢受体数：
  10