N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide

• 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: N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[2-(furan-2-yl)phenyl]acetamide;N-[2-[(2R,3S,4R,5R,7R,10R,11S,12S,13R)-3,4-dihydroxy-10-(3-hydroxy-4,6-dimethyloxan-2-yl)oxy-12-(5-hydroxy-4,4,6-trimethyloxan-2-yl)oxy-3,5,7,9,9,11,13-heptamethyl-6,14-dioxo-oxacyclotetradec-2-yl]ethyl]-2-[3-(furan-2-yl)phenyl]acetamide
• 化学式: C98H150N2O26
• 分子量: 1772.2
• InChiKey: ITYPAFRPTREHEN-BMRJNGSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.97
• 重原子数：
  126
• 可旋转键数：
  20
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  407
• 氢给体数：
  10
• 氢受体数：
  26