[(2R,3S,4R,5R,7S,9S,10S,11R,12S,13R)-12-[[(4S,6R,7aR)-4,7a-dimethyl-2-oxo-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-7-(benzylcarbamoyloxy)-2-[1-[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxypropan-2-yl]-10-[(2S,3R)-3-hydroxy-4-methoxyimino-6-methyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] 3-methylbutanoate

• 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,7S,9S,10S,11R,12S,13R)-12-[[(4S,6R,7aR)-4,7a-dimethyl-2-oxo-3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-7-(benzylcarbamoyloxy)-2-[1-[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxypropan-2-yl]-10-[(2S,3R)-3-hydroxy-4-methoxyimino-6-methyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-6,14-dioxo-oxacyclotetradec-4-yl] 3-methylbutanoate
• 化学式: C₅₈H₉₀N₂O₂₁
• 分子量: 1151.3
• InChiKey: QKTYEQGSOBGRAD-KQKPAFJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  81
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  279
• 氢给体数：
  3
• 氢受体数：
  22