[2-[2-[3-(2-Aminopyridin-4-yl)propylimino]-6-(4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl)-17'-hydroxyspiro[1,3-diazinane-4,7'-2-oxatricyclo[12.3.1.03,8]octadeca-1(17),14(18),15-trien-9-yne]-12'-yl]-6-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]oxan-4-yl] acetate

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: [2-[2-[3-(2-Aminopyridin-4-yl)propylimino]-6-(4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl)-17'-hydroxyspiro[1,3-diazinane-4,7'-2-oxatricyclo[12.3.1.03,8]octadeca-1(17),14(18),15-trien-9-yne]-12'-yl]-6-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]oxan-4-yl] acetate
• 英文别名: [2-[2-[3-(2-aminopyridin-4-yl)propylimino]-6-(4,5-dihydropyrrolo[3,4-b]pyrrol-5-ium-5-yl)-17'-hydroxyspiro[1,3-diazinane-4,7'-2-oxatricyclo[12.3.1.03,8]octadeca-1(17),14(18),15-trien-9-yne]-12'-yl]-6-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]oxan-4-yl] acetate
• 化学式: C54H61N8O8+
• 分子量: 950.1
• InChiKey: BCOPPQJJIAISCS-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  70
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  220
• 氢给体数：
  7
• 氢受体数：
  13