Trestatin C | 71892-68-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Trestatin C
• 英文别名: (2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(1S,4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-5-[[(4R,5R,6S)-4-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-[[(4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-3,4-dihydroxy-6-methyloxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 71892-68-7
• 化学式: C₇₅H₁₂₅N₃O₅₂
• 分子量: 1900.8
• InChiKey: OBZZPMPQQQMTMK-FPAWZWHZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -24.2
• 重原子数：
  130
• 可旋转键数：
  31
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  901
• 氢给体数：
  38
• 氢受体数：
  55