Ethyl 3-[37-(3,6-dihydroxyhexyl)-2,7,10,42,47-pentahydroxy-8-(hydroxymethyl)-29-methyl-3'-(methylaminomethyl)spiro[12,19,22,46-tetraoxa-32,33,39,40-tetrathia-25-azanonacyclo[28.11.3.11,11.12,10.135,38.04,9.013,21.016,20.026,38]heptatetraconta-5,13,15,17,20-pentaene-36,1'-cyclopentane]-14-yl]propanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 3-[37-(3,6-dihydroxyhexyl)-2,7,10,42,47-pentahydroxy-8-(hydroxymethyl)-29-methyl-3'-(methylaminomethyl)spiro[12,19,22,46-tetraoxa-32,33,39,40-tetrathia-25-azanonacyclo[28.11.3.11,11.12,10.135,38.04,9.013,21.016,20.026,38]heptatetraconta-5,13,15,17,20-pentaene-36,1'-cyclopentane]-14-yl]propanoate
• 英文别名: ethyl 3-[37-(3,6-dihydroxyhexyl)-2,7,10,42,47-pentahydroxy-8-(hydroxymethyl)-29-methyl-3'-(methylaminomethyl)spiro[12,19,22,46-tetraoxa-32,33,39,40-tetrathia-25-azanonacyclo[28.11.3.11,11.12,10.135,38.04,9.013,21.016,20.026,38]heptatetraconta-5,13,15,17,20-pentaene-36,1'-cyclopentane]-14-yl]propanoate
• 化学式: C₅₇H₈₆N₂O₁₄S₄
• 分子量: 1151.6
• InChiKey: NFXRYEOBWWUAJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  77
• 可旋转键数：
  14
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  354
• 氢给体数：
  10
• 氢受体数：
  20