6-[[2-[(2-ethylnaphthalen-1-yl)methyl]-4-hydroxy-3-methoxyphenyl]methyl]-5-hydroxy-1-[6-hydroxy-15-(hydroxymethoxy)-6-methyl-2-oxa-8,9-dithia-4-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-12-yl]-2-[3-hydroxy-5-(methylaminomethyl)phenyl]-7-(1H-pyrrol-3-yl)heptan-3-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: 6-[[2-[(2-ethylnaphthalen-1-yl)methyl]-4-hydroxy-3-methoxyphenyl]methyl]-5-hydroxy-1-[6-hydroxy-15-(hydroxymethoxy)-6-methyl-2-oxa-8,9-dithia-4-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-12-yl]-2-[3-hydroxy-5-(methylaminomethyl)phenyl]-7-(1H-pyrrol-3-yl)heptan-3-one
• 化学式: C₅₃H₆₃N₃O₉S₂
• 分子量: 950.2
• InChiKey: RJXYCWPVZBQKJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  67
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  236
• 氢给体数：
  8
• 氢受体数：
  13