(2S)-3-[[(3S,4S,6S)-6-[(3S,5S,6S)-6-[(3S,5S,6S)-6-[(3S,4R)-2-[[(2S)-2-amino-2-carboxyethyl]sulfanylmethyl]-6-[(3S,5S,6R)-6-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-1,4,5-trihydroxy-2-methoxyhexan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]-2-methylpropanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2S)-3-[[(3S,4S,6S)-6-[(3S,5S,6S)-6-[(3S,5S,6S)-6-[(3S,4R)-2-[[(2S)-2-amino-2-carboxyethyl]sulfanylmethyl]-6-[(3S,5S,6R)-6-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(3S,4R)-1,4,5-trihydroxy-2-methoxyhexan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methylsulfanyl]-2-methylpropanoic acid
• 化学式: C₅₀H₈₇NO₃₇S₂
• 分子量: 1358.3
• InChiKey: VXVFGOMKEIHTCY-NZRKUBFKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -15.8
• 重原子数：
  90
• 可旋转键数：
  31
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  676
• 氢给体数：
  23
• 氢受体数：
  40

文献信息

• US20140255374A1
  申请人：——

  公开号：US20140255374A1

  公开（公告）日：2014-09-11