6-[4-[3-[[4-[3-carbamoyl-7-hydroxy-6-[4-(2,2,3,3,4,4,5,5-octahydroxy-6-oxopiperidin-1-yl)phenyl]-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-1-yl]-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]oxymethoxy]-2,2,3,4,4-pentahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(2,5-dihydroxy-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 6-[4-[3-[[4-[3-carbamoyl-7-hydroxy-6-[4-(2,2,3,3,4,4,5,5-octahydroxy-6-oxopiperidin-1-yl)phenyl]-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-1-yl]-2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl]oxymethoxy]-2,2,3,4,4-pentahydroxy-6-oxopiperidin-1-yl]phenyl]-1-(2,5-dihydroxy-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide
• 化学式: C₅₀H₄₈N₁₀O₃₀
• 分子量: 1269.0
• InChiKey: HVWKLWBTEFKPHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.8
• 重原子数：
  90
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  644
• 氢给体数：
  23
• 氢受体数：
  36