19-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-29-amino-5-hydroxy-9-(hydroxymethyl)-21-(2-hydroxypropylamino)-6-methoxy-41-[2-[3-(2-phenylethyl)phenyl]ethyl]-32,33-dithia-28,30,37,39-tetrazaheptacyclo[32.6.2.115,19.122,25.03,8.018,22.038,42]tetratetraconta-1(40),3,5,7,9,29,35,41-octaene-11,13-dione

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 19-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-29-amino-5-hydroxy-9-(hydroxymethyl)-21-(2-hydroxypropylamino)-6-methoxy-41-[2-[3-(2-phenylethyl)phenyl]ethyl]-32,33-dithia-28,30,37,39-tetrazaheptacyclo[32.6.2.115,19.122,25.03,8.018,22.038,42]tetratetraconta-1(40),3,5,7,9,29,35,41-octaene-11,13-dione
• 英文别名: 19-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-29-amino-5-hydroxy-9-(hydroxymethyl)-21-(2-hydroxypropylamino)-6-methoxy-41-[2-[3-(2-phenylethyl)phenyl]ethyl]-32,33-dithia-28,30,37,39-tetrazaheptacyclo[32.6.2.115,19.122,25.03,8.018,22.038,42]tetratetraconta-1(40),3,5,7,9,29,35,41-octaene-11,13-dione
• 化学式: C₇₂H₉₆N₈O₆S₂
• 分子量: 1233.7
• InChiKey: LWSWRZXUZDKWBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  88
• 可旋转键数：
  13
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  265
• 氢给体数：
  10
• 氢受体数：
  14