4-[9-[11-[3-[3-(3-Cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-7,10,13,14-tetrahydroxy-2-(3-hydroxypropyl)-3,12-dioxabicyclo[8.2.2]tetradec-4-yn-8-yl]-7a-hydroxy-1,2,3,3a,4,5,6,6a,7,8,9,11a-dodecahydrocyclopenta[d]fluoren-6-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-[9-[11-[3-[3-(3-Cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-7,10,13,14-tetrahydroxy-2-(3-hydroxypropyl)-3,12-dioxabicyclo[8.2.2]tetradec-4-yn-8-yl]-7a-hydroxy-1,2,3,3a,4,5,6,6a,7,8,9,11a-dodecahydrocyclopenta[d]fluoren-6-yl]benzoic acid
• 英文别名: 4-[9-[11-[3-[3-(3-cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-7,10,13,14-tetrahydroxy-2-(3-hydroxypropyl)-3,12-dioxabicyclo[8.2.2]tetradec-4-yn-8-yl]-7a-hydroxy-1,2,3,3a,4,5,6,6a,7,8,9,11a-dodecahydrocyclopenta[d]fluoren-6-yl]benzoic acid
• 化学式: C₅₈H₇₂N₂O₁₃
• 分子量: 1005.2
• InChiKey: YDJNGEJWCJDBJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  73
• 可旋转键数：
  17
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  245
• 氢给体数：
  8
• 氢受体数：
  14