5'-(3-Benzylphenyl)-16'-(4-hydroxy-1-methoxybutan-2-yl)-17'-(hydroxymethyl)-27'-(1-hydroxypropan-2-ylidene)spiro[1,2,3,3a,4,5,6,7a-octahydroindene-7,23'-10,14,22,25-tetraoxahexacyclo[28.2.2.02,7.011,24.012,21.013,18]tetratriaconta-1(32),3,12(21),13(18),16,19,30,33-octaene]-9',15',26'-trione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 5'-(3-Benzylphenyl)-16'-(4-hydroxy-1-methoxybutan-2-yl)-17'-(hydroxymethyl)-27'-(1-hydroxypropan-2-ylidene)spiro[1,2,3,3a,4,5,6,7a-octahydroindene-7,23'-10,14,22,25-tetraoxahexacyclo[28.2.2.02,7.011,24.012,21.013,18]tetratriaconta-1(32),3,12(21),13(18),16,19,30,33-octaene]-9',15',26'-trione
• 英文别名: 5'-(3-benzylphenyl)-16'-(4-hydroxy-1-methoxybutan-2-yl)-17'-(hydroxymethyl)-27'-(1-hydroxypropan-2-ylidene)spiro[1,2,3,3a,4,5,6,7a-octahydroindene-7,23'-10,14,22,25-tetraoxahexacyclo[28.2.2.02,7.011,24.012,21.013,18]tetratriaconta-1(32),3,12(21),13(18),16,19,30,33-octaene]-9',15',26'-trione
• 化学式: C₆₀H₆₆O₁₁
• 分子量: 963.2
• InChiKey: PPZQQKCILKHWSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  71
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11