36-(1-Hydroxyethyl)-20-[(4-hydroxyphenyl)methyl]-9,12,18,21,35,38,40,43-octaoxo-41-propan-2-yl-7-oxa-10,13,19,22,24,34,37,39,42-nonazaheptacyclo[21.15.5.23,6.18,11.124,31.013,17.025,30]heptatetraconta-3(47),4,6(46),25,27,29,31(44)-heptaene-33-carboxylic acid

• 分子结构分类: 有机化合物 - 有机聚合物 - 多肽
• 英文名称: 36-(1-Hydroxyethyl)-20-[(4-hydroxyphenyl)methyl]-9,12,18,21,35,38,40,43-octaoxo-41-propan-2-yl-7-oxa-10,13,19,22,24,34,37,39,42-nonazaheptacyclo[21.15.5.23,6.18,11.124,31.013,17.025,30]heptatetraconta-3(47),4,6(46),25,27,29,31(44)-heptaene-33-carboxylic acid
• 英文别名: 36-(1-hydroxyethyl)-20-[(4-hydroxyphenyl)methyl]-9,12,18,21,35,38,40,43-octaoxo-41-propan-2-yl-7-oxa-10,13,19,22,24,34,37,39,42-nonazaheptacyclo[21.15.5.23,6.18,11.124,31.013,17.025,30]heptatetraconta-3(47),4,6(46),25,27,29,31(44)-heptaene-33-carboxylic acid
• 化学式: C₅₀H₅₇N₉O₁₃
• 分子量: 992.0
• InChiKey: FWERJODDNKIHKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  72
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  316
• 氢给体数：
  10
• 氢受体数：
  13