[(3S,4S,6S)-6-[(3S,4S,6S)-2-[(5-amino-2-hydroxybenzoyl)oxymethyl]-6-[(3S,4S,6R)-2-[(5-amino-2-hydroxybenzoyl)oxymethyl]-4,6-dihydroxy-5-pyridin-1-ium-1-yloxan-3-yl]oxy-4-hydroxy-5-pyridin-1-ium-1-yloxan-3-yl]oxy-3,4-dihydroxy-5-pyridin-1-ium-1-yloxan-2-yl]methyl 5-amino-2-hydroxybenzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(3S,4S,6S)-6-[(3S,4S,6S)-2-[(5-amino-2-hydroxybenzoyl)oxymethyl]-6-[(3S,4S,6R)-2-[(5-amino-2-hydroxybenzoyl)oxymethyl]-4,6-dihydroxy-5-pyridin-1-ium-1-yloxan-3-yl]oxy-4-hydroxy-5-pyridin-1-ium-1-yloxan-3-yl]oxy-3,4-dihydroxy-5-pyridin-1-ium-1-yloxan-2-yl]methyl 5-amino-2-hydroxybenzoate
• 化学式: C54H59N6O19+3
• 分子量: 1096.1
• InChiKey: MSQVDCFFXXTGAQ-DMYOOYARSA-Q

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  79
• 可旋转键数：
  19
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  377
• 氢给体数：
  11
• 氢受体数：
  22