4-[15-[3-[3-(3-cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-3-[2-(7-cyclopentyl-3-hydroxy-5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),8(16),9,11(15),12-pentaen-6-yl)ethyl]-7,7'a,16,17-tetrahydroxy-12-(3-hydroxypropyl)spiro[2,11,14-trioxatricyclo[11.2.2.11,6]octadec-3-en-9-yne-5,9'-2,3,3a,4,5,6,6a,7,8,10,11,11a-dodecahydro-1H-cyclopenta[d]fluorene]-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-[15-[3-[3-(3-cyanopyrrol-1-yl)-4-hydroxy-2-(methoxymethyl)butyl]-4-prop-2-enylphenoxy]-3-[2-(7-cyclopentyl-3-hydroxy-5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),8(16),9,11(15),12-pentaen-6-yl)ethyl]-7,7'a,16,17-tetrahydroxy-12-(3-hydroxypropyl)spiro[2,11,14-trioxatricyclo[11.2.2.11,6]octadec-3-en-9-yne-5,9'-2,3,3a,4,5,6,6a,7,8,10,11,11a-dodecahydro-1H-cyclopenta[d]fluorene]-6'-yl]benzoic acid
• 化学式: C₈₂H₉₉N₃O₁₄
• 分子量: 1350.7
• InChiKey: SODJJANNYGVBDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  99
• 可旋转键数：
  20
• 环数：
  16.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  266
• 氢给体数：
  9
• 氢受体数：
  16