[29-[(6-Amino-1,2-dihydropyridin-4-yl)methyl]-54-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]-34-(ethylamino)-12,61-dihydroxy-55,63-dioxa-11,20,23,25,27,67-hexazapentadecacyclo[40.14.9.126,44.158,62.01,48.05,10.013,24.013,44.016,23.017,21.029,33.032,36.035,40.045,64.051,56]heptahexaconta-16,18,21,26,35(40),36,38,58(66),59,61-decaen-3,46-diyn-52-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: [29-[(6-Amino-1,2-dihydropyridin-4-yl)methyl]-54-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]-34-(ethylamino)-12,61-dihydroxy-55,63-dioxa-11,20,23,25,27,67-hexazapentadecacyclo[40.14.9.126,44.158,62.01,48.05,10.013,24.013,44.016,23.017,21.029,33.032,36.035,40.045,64.051,56]heptahexaconta-16,18,21,26,35(40),36,38,58(66),59,61-decaen-3,46-diyn-52-yl] acetate
• 英文别名: [29-[(6-amino-1,2-dihydropyridin-4-yl)methyl]-54-[3,4-dihydroxy-5-(2-pyridin-3-ylethoxy)phenyl]-34-(ethylamino)-12,61-dihydroxy-55,63-dioxa-11,20,23,25,27,67-hexazapentadecacyclo[40.14.9.126,44.158,62.01,48.05,10.013,24.013,44.016,23.017,21.029,33.032,36.035,40.045,64.051,56]heptahexaconta-16,18,21,26,35(40),36,38,58(66),59,61-decaen-3,46-diyn-52-yl] acetate
• 化学式: C₈₂H₉₄N₁₀O₉
• 分子量: 1363.7
• InChiKey: SIMGMVZFHKKFIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  101
• 可旋转键数：
  11
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  267
• 氢给体数：
  11
• 氢受体数：
  15