(1R,3R,5R,7S,17S,18S,33S,35S,36S,37S)-17-[(2S,4R,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-33-[(2R,5S,6S)-4,5-dihydroxy-6-methyl-3-oxooxan-2-yl]oxy-1,3,5,7,37-pentahydroxy-18-methyl-9,13,15-trioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-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: (1R,3R,5R,7S,17S,18S,33S,35S,36S,37S)-17-[(2S,4R,5R)-7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-33-[(2R,5S,6S)-4,5-dihydroxy-6-methyl-3-oxooxan-2-yl]oxy-1,3,5,7,37-pentahydroxy-18-methyl-9,13,15-trioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
• 化学式: C₅₉H₈₁NO₁₉
• 分子量: 1108.3
• InChiKey: SPYAQZAIGASIGJ-RAEPZUFOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  79
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  347
• 氢给体数：
  10
• 氢受体数：
  20