13-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-34,50-diamino-8,27-dihydroxy-23-(hydroxymethyl)-26-methoxy-37-[[3-(2-phenylethyl)phenyl]methyl]-40,41-dithia-10,33,49,51-tetrazadecacyclo[36.10.5.113,17.03,43.04,9.011,44.014,44.024,29.031,36.043,47]tetrapentaconta-3,5,22,24,26,28,31,35,50-nonaen-52-yne-19,21-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: 13-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-Dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-34,50-diamino-8,27-dihydroxy-23-(hydroxymethyl)-26-methoxy-37-[[3-(2-phenylethyl)phenyl]methyl]-40,41-dithia-10,33,49,51-tetrazadecacyclo[36.10.5.113,17.03,43.04,9.011,44.014,44.024,29.031,36.043,47]tetrapentaconta-3,5,22,24,26,28,31,35,50-nonaen-52-yne-19,21-dione
• 英文别名: 13-(1,2,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydropyrido[3,4-g]quinolin-10-ylmethyl)-34,50-diamino-8,27-dihydroxy-23-(hydroxymethyl)-26-methoxy-37-[[3-(2-phenylethyl)phenyl]methyl]-40,41-dithia-10,33,49,51-tetrazadecacyclo[36.10.5.113,17.03,43.04,9.011,44.014,44.024,29.031,36.043,47]tetrapentaconta-3,5,22,24,26,28,31,35,50-nonaen-52-yne-19,21-dione
• 化学式: C₇₈H₉₆N₈O₆S₂
• 分子量: 1305.8
• InChiKey: IHJGFQILCZZXIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  94
• 可旋转键数：
  9
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  279
• 氢给体数：
  10
• 氢受体数：
  14