(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-[3,5-dimethoxy-4-[(2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯
• 英文名称: (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-[3,5-dimethoxy-4-[(2-oxo-4-pyridin-4-yl-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]phenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
• 英文别名: (5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-[3,5-dimethoxy-4-[(2-oxo-4-pyridin-4-yl-1,3,2λ5-dioxaphosphinan-2-yl)oxy]phenyl]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
• 化学式: C₃₇H₄₀NO₁₆P
• 分子量: 785.7
• InChiKey: RVBDBDAWMOTKFW-HQRTVQQZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  55
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  198
• 氢给体数：
  2
• 氢受体数：
  17