6-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-7-(hydroxymethyl)-64-(1-hydroxypropan-2-ylidene)-4,12,66,68-tetraoxaheptadecacyclo[33.32.5.313,26.136,40.02,11.03,8.013,67.014,26.016,25.017,22.029,61.031,59.032,71.041,50.041,54.042,47.056,73]hexaheptaconta-2(11),3(8),6,9,17,19,21,23,29,31(59),33,36(73),37,39,42,44,46,48,55,57,60-henicosaene-5,65,69-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: 6-[4-Hydroxy-1-(hydroxymethoxy)butan-2-yl]-7-(hydroxymethyl)-64-(1-hydroxypropan-2-ylidene)-4,12,66,68-tetraoxaheptadecacyclo[33.32.5.313,26.136,40.02,11.03,8.013,67.014,26.016,25.017,22.029,61.031,59.032,71.041,50.041,54.042,47.056,73]hexaheptaconta-2(11),3(8),6,9,17,19,21,23,29,31(59),33,36(73),37,39,42,44,46,48,55,57,60-henicosaene-5,65,69-trione
• 英文别名: 6-[4-hydroxy-1-(hydroxymethoxy)butan-2-yl]-7-(hydroxymethyl)-64-(1-hydroxypropan-2-ylidene)-4,12,66,68-tetraoxaheptadecacyclo[33.32.5.313,26.136,40.02,11.03,8.013,67.014,26.016,25.017,22.029,61.031,59.032,71.041,50.041,54.042,47.056,73]hexaheptaconta-2(11),3(8),6,9,17,19,21,23,29,31(59),33,36(73),37,39,42,44,46,48,55,57,60-henicosaene-5,65,69-trione
• 化学式: C₈₁H₈₀O₁₂
• 分子量: 1245.5
• InChiKey: MTNOQHUZTPDXJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13
• 重原子数：
  93
• 可旋转键数：
  8
• 环数：
  18.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  178
• 氢给体数：
  4
• 氢受体数：
  12