4-[4-Butyl-33-[3-[3-(3-cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-21,25,34,35-tetrahydroxy-30-(3-hydroxypropyl)-2,29,32-trioxanonacyclo[29.2.2.11,24.13,7.19,23.010,21.011,15.011,19.023,38]octatriaconta-3(38),7-dien-27-yn-18-yl]benzoic acid

• 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: 4-[4-Butyl-33-[3-[3-(3-cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-21,25,34,35-tetrahydroxy-30-(3-hydroxypropyl)-2,29,32-trioxanonacyclo[29.2.2.11,24.13,7.19,23.010,21.011,15.011,19.023,38]octatriaconta-3(38),7-dien-27-yn-18-yl]benzoic acid
• 英文别名: 4-[4-butyl-33-[3-[3-(3-cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-21,25,34,35-tetrahydroxy-30-(3-hydroxypropyl)-2,29,32-trioxanonacyclo[29.2.2.11,24.13,7.19,23.010,21.011,15.011,19.023,38]octatriaconta-3(38),7-dien-27-yn-18-yl]benzoic acid
• 化学式: C₆₉H₈₆N₂O₁₃
• 分子量: 1151.4
• InChiKey: KASBQQBXVYFOCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  84
• 可旋转键数：
  19
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  234
• 氢给体数：
  7
• 氢受体数：
  14