8-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-7,34-bis(hydroxymethyl)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-2,10,14,54-tetraoxatridecacyclo[31.19.3.239,49.123,27.128,49.01,48.03,12.06,11.013,53.017,22.026,31.040,45.046,56]nonapentaconta-3(12),4,6(11),7,20,23(59),24,26,33,39(57),40,42,44,50-tetradecaen-36-yne-9,15,55-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]-7,34-bis(hydroxymethyl)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-2,10,14,54-tetraoxatridecacyclo[31.19.3.239,49.123,27.128,49.01,48.03,12.06,11.013,53.017,22.026,31.040,45.046,56]nonapentaconta-3(12),4,6(11),7,20,23(59),24,26,33,39(57),40,42,44,50-tetradecaen-36-yne-9,15,55-trione
• 英文别名: 8-[4-hydroxy-1-(hydroxymethoxy)butan-2-yl]-7,34-bis(hydroxymethyl)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-2,10,14,54-tetraoxatridecacyclo[31.19.3.239,49.123,27.128,49.01,48.03,12.06,11.013,53.017,22.026,31.040,45.046,56]nonapentaconta-3(12),4,6(11),7,20,23(59),24,26,33,39(57),40,42,44,50-tetradecaen-36-yne-9,15,55-trione
• 化学式: C₈₄H₈₂O₁₂
• 分子量: 1283.5
• InChiKey: XEIJHIOUIXCPLG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  96
• 可旋转键数：
  9
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  12