[45-Amino-32-[(6-amino-1,2-dihydropyridin-4-yl)methyl]-10,26-dihydroxy-30-oxo-24-oxa-2,3-dithia-29,44,46-triazadecacyclo[31.10.4.29,12.217,23.115,27.129,32.137,40.01,40.016,25.019,23]tetrapentaconta-15(50),16(25),26,45,51-pentaen-34-yn-12-yl] acetate

• 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: [45-Amino-32-[(6-amino-1,2-dihydropyridin-4-yl)methyl]-10,26-dihydroxy-30-oxo-24-oxa-2,3-dithia-29,44,46-triazadecacyclo[31.10.4.29,12.217,23.115,27.129,32.137,40.01,40.016,25.019,23]tetrapentaconta-15(50),16(25),26,45,51-pentaen-34-yn-12-yl] acetate
• 英文别名: [45-amino-32-[(6-amino-1,2-dihydropyridin-4-yl)methyl]-10,26-dihydroxy-30-oxo-24-oxa-2,3-dithia-29,44,46-triazadecacyclo[31.10.4.29,12.217,23.115,27.129,32.137,40.01,40.016,25.019,23]tetrapentaconta-15(50),16(25),26,45,51-pentaen-34-yn-12-yl] acetate
• 化学式: C₅₆H₇₆N₆O₆S₂
• 分子量: 993.4
• InChiKey: GXFJBQZBEQLHLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  70
• 可旋转键数：
  4
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  235
• 氢给体数：
  6
• 氢受体数：
  11