[(2S,3S,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,12'S,13'S,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] pyrrolidine-1-sulfonate

• 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: [(2S,3S,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,12'S,13'S,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] pyrrolidine-1-sulfonate
• 化学式: C₅₂H₇₉NO₁₆S
• 分子量: 1006.2
• InChiKey: XTRRFUPYPVGAND-OOXYWKQBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  70
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  205
• 氢给体数：
  2
• 氢受体数：
  17