(2R,4S)-4-[(4S,5S,6S)-4-[2-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)morpholin-4-yl]-5-hydroxy-6-methyloxan-2-yl]oxy-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: (2R,4S)-4-[(4S,5S,6S)-4-[2-[2-[[3,5-dihydroxy-6-propan-2-yl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)morpholin-4-yl]-5-hydroxy-6-methyloxan-2-yl]oxy-5,12-dihydroxy-7-methoxy-6,11-dioxo-1,2,3,4-tetrahydrotetracene-2-carboxylic acid
• 化学式: C₅₂H₇₁NO₂₇
• 分子量: 1142.1
• InChiKey: SMBFHDUHODWZRU-BUYCPEDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.3
• 重原子数：
  80
• 可旋转键数：
  16
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  430
• 氢给体数：
  14
• 氢受体数：
  28

文献信息

• MODIFIED AND DERIVATIZED ß-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS
  申请人：Biothera, Inc.

  公开号：US20140228543A1

  公开（公告）日：2014-08-14

  Modified and/or derivativized β-glucans with an enhanced capacity to modulate human immune response as compared to the parent, unmodified and/or underivatized β-glucans are demonstrated.

  改性和/或衍生的β-葡聚糖表现出比未改性和/或未衍生的β-葡聚糖更强的调节人类免疫反应的能力。