(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-14-[(E)-3-quinolin-3-ylprop-2-enyl]-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-14-(3-quinolin-3-ylpropyl)-oxacyclotetradecane-2,10-dione;(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-7,12,13-trihydroxy-3,4,5,6,7,9,11,13-octamethyl-14-prop-2-enyl-oxacyclotetradecane-2,10-dione;(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-7,12,13-trihydroxy-3,4,5,6,7,9,11,13-octamethyl-14-[(E)-4-quinolin-3-ylbut-3-enyl]-oxacyclotetradecane-2,10-dione

• 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: (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-14-[(E)-3-quinolin-3-ylprop-2-enyl]-oxacyclotetradecane-2,10-dione;(3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyl-14-(3-quinolin-3-ylpropyl)-oxacyclotetradecane-2,10-dione;(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-7,12,13-trihydroxy-3,4,5,6,7,9,11,13-octamethyl-14-prop-2-enyl-oxacyclotetradecane-2,10-dione;(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-7,12,13-trihydroxy-3,4,5,6,7,9,11,13-octamethyl-14-[(E)-4-quinolin-3-ylbut-3-enyl]-oxacyclotetradecane-2,10-dione
• 化学式: C120H179N3O24
• 分子量: 2047.7
• InChiKey: VDLIMMGWPIMAOT-LQCUQZKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.48
• 重原子数：
  147
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  455
• 氢给体数：
  12
• 氢受体数：
  27