(4S,10S,12R,14R,18S,19R,20S,22S,37S,38S)-38-[(2S,4R,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-22-[(2R,5S,6S)-4,5-dihydroxy-6-methyl-3-oxooxan-2-yl]oxy-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (4S,10S,12R,14R,18S,19R,20S,22S,37S,38S)-38-[(2S,4R,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-22-[(2R,5S,6S)-4,5-dihydroxy-6-methyl-3-oxooxan-2-yl]oxy-4,10,12,14,18,20-hexahydroxy-37-methyl-2,8,16-trioxo-1-oxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid
• 化学式: C₅₉H₈₃NO₁₉
• 分子量: 1110.3
• InChiKey: BXYUBUKKSUFJLR-BOLZCYQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  79
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  358
• 氢给体数：
  11
• 氢受体数：
  20