1-(3-amino-2-hydroxy-4-methoxy-5,6-dioxocyclohexa-1,3-dien-1-yl)-6-[4-[3-[[4-[3-carbamoyl-5,5,7-trihydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,2,3,3,4,4,5,5-octahydroxy-6-oxopiperidin-1-yl)phenyl]-2,4-dihydropyrazolo[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]-2,3,5,6-tetrahydroxyphenyl]-5,5,7-trihydroxy-2,4-dihydropyrazolo[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-(3-amino-2-hydroxy-4-methoxy-5,6-dioxocyclohexa-1,3-dien-1-yl)-6-[4-[3-[[4-[3-carbamoyl-5,5,7-trihydroxy-6-[2,3,5,6-tetrahydroxy-4-(2,2,3,3,4,4,5,5-octahydroxy-6-oxopiperidin-1-yl)phenyl]-2,4-dihydropyrazolo[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]-2,3,5,6-tetrahydroxyphenyl]-5,5,7-trihydroxy-2,4-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
• 化学式: C₅₀H₄₉N₁₁O₄₁
• 分子量: 1460.0
• InChiKey: VZFXAOZSWXDKSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.2
• 重原子数：
  102
• 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：
  893
• 氢给体数：
  35
• 氢受体数：
  48