[(2R,3S,4R,5R,6S)-2-[[(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S,21R)-21-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-[(4S,5S,6S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-methoxypropyl]-3,5-dimethyloxan-2-yl]-17,20-dihydroxy-18-methoxy-3,5,7,9,13-pentamethyl-2-oxo-1-oxacyclohenicosa-3,5,7,11,13-pentaen-10-yl]oxy]-4-hydroxy-5-methoxy-6-methyloxan-3-yl] benzoate

• 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: [(2R,3S,4R,5R,6S)-2-[[(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S,21R)-21-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-[(4S,5S,6S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-methoxypropyl]-3,5-dimethyloxan-2-yl]-17,20-dihydroxy-18-methoxy-3,5,7,9,13-pentamethyl-2-oxo-1-oxacyclohenicosa-3,5,7,11,13-pentaen-10-yl]oxy]-4-hydroxy-5-methoxy-6-methyloxan-3-yl] benzoate
• 化学式: C₆₅H₁₀₀O₂₂
• 分子量: 1233.5
• InChiKey: ANCKAGZHDBMCPS-JJTQEFBESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  87
• 可旋转键数：
  17
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  296
• 氢给体数：
  7
• 氢受体数：
  22