1-(6,15-Dihydroxy-6-methyl-2-oxa-8,9-dithia-4-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-12-yl)-6-[[2-[[2-ethyl-8-(2-hydroxyethyl)naphthalen-1-yl]methyl]-4-hydroxy-3-methoxyphenyl]methyl]-5-hydroxy-2-[3-hydroxy-5-(methylaminomethyl)phenyl]-7-pyrrol-1-id-3-ylheptan-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: 1-(6,15-Dihydroxy-6-methyl-2-oxa-8,9-dithia-4-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-12-yl)-6-[[2-[[2-ethyl-8-(2-hydroxyethyl)naphthalen-1-yl]methyl]-4-hydroxy-3-methoxyphenyl]methyl]-5-hydroxy-2-[3-hydroxy-5-(methylaminomethyl)phenyl]-7-pyrrol-1-id-3-ylheptan-3-one
• 英文别名: 1-(6,15-dihydroxy-6-methyl-2-oxa-8,9-dithia-4-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-12-yl)-6-[[2-[[2-ethyl-8-(2-hydroxyethyl)naphthalen-1-yl]methyl]-4-hydroxy-3-methoxyphenyl]methyl]-5-hydroxy-2-[3-hydroxy-5-(methylaminomethyl)phenyl]-7-pyrrol-1-id-3-ylheptan-3-one
• 化学式: C54H64N3O9S2-
• 分子量: 963.2
• InChiKey: DJJNRFSVWLIZQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  68
• 可旋转键数：
  19
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  233
• 氢给体数：
  8
• 氢受体数：
  14