1-[4-[[1-[4-[3-carbamoyl-1-(2,5-dihydroxy-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]-2,3,5,6-tetrahydroxyphenyl]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-3-yl]oxymethoxy]phenyl]-5,5-dihydroxy-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4H-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: 1-[4-[[1-[4-[3-carbamoyl-1-(2,5-dihydroxy-4-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)-7-hydroxy-4,5-dihydro-2H-pyrazolo[3,4-c]pyridin-6-yl]-2,3,5,6-tetrahydroxyphenyl]-2,2,3,4,4,5,5-heptahydroxy-6-oxopiperidin-3-yl]oxymethoxy]phenyl]-5,5-dihydroxy-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4H-pyrazolo[3,4-c]pyridine-3-carboxamide
• 化学式: C₅₀H₄₈N₁₀O₂₆
• 分子量: 1205.0
• InChiKey: VPSMVFRORYPATB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.3
• 重原子数：
  86
• 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：
  569
• 氢给体数：
  19
• 氢受体数：
  30