2-[5-(2-Aminopyridin-4-yl)-4-[[2-hydroxy-5-[4-hydroxy-3-(2-hydroxyethyl)-6-[2-[4-hydroxy-3-(hydroxymethoxy)phenyl]ethyl]oxan-2-yl]-3-methoxyphenoxy]methyl]-2-methylspiro[1,2,3,4,5,6,7a,8,9,10-decahydrocyclopenta[e]isoquinoline-7,1'-cyclopentane]-4a-yl]acetic acid

• 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: 2-[5-(2-Aminopyridin-4-yl)-4-[[2-hydroxy-5-[4-hydroxy-3-(2-hydroxyethyl)-6-[2-[4-hydroxy-3-(hydroxymethoxy)phenyl]ethyl]oxan-2-yl]-3-methoxyphenoxy]methyl]-2-methylspiro[1,2,3,4,5,6,7a,8,9,10-decahydrocyclopenta[e]isoquinoline-7,1'-cyclopentane]-4a-yl]acetic acid
• 英文别名: 2-[5-(2-aminopyridin-4-yl)-4-[[2-hydroxy-5-[4-hydroxy-3-(2-hydroxyethyl)-6-[2-[4-hydroxy-3-(hydroxymethoxy)phenyl]ethyl]oxan-2-yl]-3-methoxyphenoxy]methyl]-2-methylspiro[1,2,3,4,5,6,7a,8,9,10-decahydrocyclopenta[e]isoquinoline-7,1'-cyclopentane]-4a-yl]acetic acid
• 化学式: C₄₈H₆₅N₃O₁₁
• 分子量: 860.0
• InChiKey: YJZQHNCVRLFGPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  62
• 可旋转键数：
  15
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  226
• 氢给体数：
  8
• 氢受体数：
  14