[2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl] 7,8,36,66,67-pentahydroxy-17-(methylamino)spiro[9,12,49-trioxa-19,20-dithiaheptadecacyclo[49.6.3.14,8.116,31.122,33.123,32.139,43.145,48.154,57.04,57.06,14.07,11.013,31.028,32.054,60.026,65.037,64]heptahexaconta-33(64),34,36,39(63),40,42-hexaene-3,1'-cyclopentane]-10-carboxylate

• 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: [2-(hydroxymethyl)-3H-naphtho[2,3-e]indol-1-yl] 7,8,36,66,67-pentahydroxy-17-(methylamino)spiro[9,12,49-trioxa-19,20-dithiaheptadecacyclo[49.6.3.14,8.116,31.122,33.123,32.139,43.145,48.154,57.04,57.06,14.07,11.013,31.028,32.054,60.026,65.037,64]heptahexaconta-33(64),34,36,39(63),40,42-hexaene-3,1'-cyclopentane]-10-carboxylate
• 化学式: C₈₅H₁₀₀N₂O₁₁S₂
• 分子量: 1389.8
• InChiKey: ZSULARBXQHMBFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.6
• 重原子数：
  100
• 可旋转键数：
  5
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  254
• 氢给体数：
  8
• 氢受体数：
  14