38-(3-Benzylphenyl)-6-(4-hydroxy-1-methoxybutan-2-yl)-7,27-bis(hydroxymethyl)-13-methyl-4,12,43,45-tetraoxadecacyclo[26.15.3.218,21.231,34.114,17.02,11.03,8.013,44.020,25.035,40]henpentaconta-2(11),3(8),6,9,18,20,22,24,27,31,33,36,47,49-tetradecaene-5,42,46-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: 38-(3-Benzylphenyl)-6-(4-hydroxy-1-methoxybutan-2-yl)-7,27-bis(hydroxymethyl)-13-methyl-4,12,43,45-tetraoxadecacyclo[26.15.3.218,21.231,34.114,17.02,11.03,8.013,44.020,25.035,40]henpentaconta-2(11),3(8),6,9,18,20,22,24,27,31,33,36,47,49-tetradecaene-5,42,46-trione
• 英文别名: 38-(3-benzylphenyl)-6-(4-hydroxy-1-methoxybutan-2-yl)-7,27-bis(hydroxymethyl)-13-methyl-4,12,43,45-tetraoxadecacyclo[26.15.3.218,21.231,34.114,17.02,11.03,8.013,44.020,25.035,40]henpentaconta-2(11),3(8),6,9,18,20,22,24,27,31,33,36,47,49-tetradecaene-5,42,46-trione
• 化学式: C₆₈H₆₈O₁₁
• 分子量: 1061.3
• InChiKey: FQSJVMXDFPKPEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  79
• 可旋转键数：
  10
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11