51-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-50-(hydroxymethyl)-21-(1-hydroxypropan-2-ylidene)-31-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-23,26,45,53-tetraoxadodecacyclo[23.19.11.01,24.02,14.04,13.05,10.016,39.019,38.029,34.035,40.046,55.049,54]pentapentaconta-5,7,9,11,32,35(40),36,38,46(55),47,49(54),50-dodecaen-42-yne-22,27,52-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: 51-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-50-(hydroxymethyl)-21-(1-hydroxypropan-2-ylidene)-31-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-23,26,45,53-tetraoxadodecacyclo[23.19.11.01,24.02,14.04,13.05,10.016,39.019,38.029,34.035,40.046,55.049,54]pentapentaconta-5,7,9,11,32,35(40),36,38,46(55),47,49(54),50-dodecaen-42-yne-22,27,52-trione
• 英文别名: 51-[4-hydroxy-1-(hydroxymethoxy)butan-2-yl]-50-(hydroxymethyl)-21-(1-hydroxypropan-2-ylidene)-31-(6-pentacyclo[12.8.0.01,10.02,7.017,22]docosa-2,4,6,15,17,19,21-heptaenyl)-23,26,45,53-tetraoxadodecacyclo[23.19.11.01,24.02,14.04,13.05,10.016,39.019,38.029,34.035,40.046,55.049,54]pentapentaconta-5,7,9,11,32,35(40),36,38,46(55),47,49(54),50-dodecaen-42-yne-22,27,52-trione
• 化学式: C₈₂H₈₂O₁₂
• 分子量: 1259.5
• InChiKey: OMJOYRNEZDIQAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  94
• 可旋转键数：
  9
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  12