8-(4-Hydroxy-1-methoxybutan-2-yl)-7-(hydroxymethyl)-52-(1-hydroxypropan-2-ylidene)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-2,10,14,50-tetraoxatridecacyclo[29.17.5.31,25.126,30.03,12.06,11.013,49.017,22.022,27.036,48.037,46.040,45.034,54]heptapentaconta-3(12),4,6(11),7,20,26,28,30(54),38,40,42,44-dodecaen-55-yne-9,15,51-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-methoxybutan-2-yl)-7-(hydroxymethyl)-52-(1-hydroxypropan-2-ylidene)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-2,10,14,50-tetraoxatridecacyclo[29.17.5.31,25.126,30.03,12.06,11.013,49.017,22.022,27.036,48.037,46.040,45.034,54]heptapentaconta-3(12),4,6(11),7,20,26,28,30(54),38,40,42,44-dodecaen-55-yne-9,15,51-trione
• 英文别名: 8-(4-hydroxy-1-methoxybutan-2-yl)-7-(hydroxymethyl)-52-(1-hydroxypropan-2-ylidene)-19-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-2,10,14,50-tetraoxatridecacyclo[29.17.5.31,25.126,30.03,12.06,11.013,49.017,22.022,27.036,48.037,46.040,45.034,54]heptapentaconta-3(12),4,6(11),7,20,26,28,30(54),38,40,42,44-dodecaen-55-yne-9,15,51-trione
• 化学式: C₈₄H₈₄O₁₁
• 分子量: 1269.6
• InChiKey: PNHBHXRJDCSXFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  95
• 可旋转键数：
  8
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11