8-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-7,45-bis(hydroxymethyl)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,8,15,17,19,21-octaenyl)-2,10,14,48-tetraoxadodecacyclo[28.19.3.226,46.230,40.123,27.01,31.03,12.06,11.013,49.017,22.034,39.033,56]heptapentaconta-3(12),4,6(11),7,20,23(57),24,26,34,36,38,40(55),45,51-tetradecaen-42-yne-9,15,47-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: 8-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-7,45-bis(hydroxymethyl)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,8,15,17,19,21-octaenyl)-2,10,14,48-tetraoxadodecacyclo[28.19.3.226,46.230,40.123,27.01,31.03,12.06,11.013,49.017,22.034,39.033,56]heptapentaconta-3(12),4,6(11),7,20,23(57),24,26,34,36,38,40(55),45,51-tetradecaen-42-yne-9,15,47-trione
• 英文别名: 8-[4-hydroxy-1-(hydroxymethoxy)butan-2-yl]-7,45-bis(hydroxymethyl)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,8,15,17,19,21-octaenyl)-2,10,14,48-tetraoxadodecacyclo[28.19.3.226,46.230,40.123,27.01,31.03,12.06,11.013,49.017,22.034,39.033,56]heptapentaconta-3(12),4,6(11),7,20,23(57),24,26,34,36,38,40(55),45,51-tetradecaen-42-yne-9,15,47-trione
• 化学式: C₈₂H₇₈O₁₂
• 分子量: 1255.5
• InChiKey: RCWWEQBGEWDANG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.1
• 重原子数：
  94
• 可旋转键数：
  9
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  12