12-(3,4-Dihydroxy-5-methoxyphenyl)-3',19-dihydroxy-9-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-2'-(pyrrol-1-id-2-ylmethyl)spiro[2,4-diazapentacyclo[15.6.2.13,7.014,24.021,25]hexacosa-1(24),3,5,7(26),15,17(25),18,20,22-nonaene-8,1'-cyclopentane]-10-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 12-(3,4-Dihydroxy-5-methoxyphenyl)-3',19-dihydroxy-9-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-2'-(pyrrol-1-id-2-ylmethyl)spiro[2,4-diazapentacyclo[15.6.2.13,7.014,24.021,25]hexacosa-1(24),3,5,7(26),15,17(25),18,20,22-nonaene-8,1'-cyclopentane]-10-one
• 英文别名: 12-(3,4-dihydroxy-5-methoxyphenyl)-3',19-dihydroxy-9-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-2'-(pyrrol-1-id-2-ylmethyl)spiro[2,4-diazapentacyclo[15.6.2.13,7.014,24.021,25]hexacosa-1(24),3,5,7(26),15,17(25),18,20,22-nonaene-8,1'-cyclopentane]-10-one
• 化学式: C50H50N3O9-
• 分子量: 836.9
• InChiKey: INZHVRVDEWAFME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  62
• 可旋转键数：
  9
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  183
• 氢给体数：
  7
• 氢受体数：
  12