1-[(2S,3R,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-[(2S)-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]-3-[6-[[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1R,5'R,6R,6'S,8R,12S,13S,20R,21R,24S)-5'-[(2S)-butan-2-yl]-21,24-dihydroxy-6',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,3'-cyclohexene]-12-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]carbamoylamino]hexyl]urea

• 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: 1-[(2S,3R,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-[(2S)-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]-3-[6-[[(2S,3R,4S,6S)-6-[(2S,3S,4S,6R)-6-[(1R,5'R,6R,6'S,8R,12S,13S,20R,21R,24S)-5'-[(2S)-butan-2-yl]-21,24-dihydroxy-6',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,3'-cyclohexene]-12-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]carbamoylamino]hexyl]urea
• 化学式: C₁₀₅H₁₆₀N₄O₂₇
• 分子量: 1910.4
• InChiKey: LFLHACOCVNPLQM-IGQXXUSCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.3
• 重原子数：
  136
• 可旋转键数：
  25
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  373
• 氢给体数：
  8
• 氢受体数：
  27