[(2S,4S,5R)-3,5-dihydroxy-2-[[(2R,4S,5R)-4-[[(2S,4S,5R)-4-[[(2S,4S,5S)-4-hydroxy-6-methyl-3,5-bis[(trihydroxy-lambda4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-6-methyl-3,5-bis[(trihydroxy-lambda4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-2-[[(2R,4S,5R)-2-[[(2R,4S,5R)-2-hydroxy-6-methyl-3,5-bis[(trihydroxy-lambda4-sulfanyl)oxy]oxan-4-yl]methoxymethyl]-6-methyl-4-[[(2S,4S,5R)-6-methyl-3,4,5-tris[(trihydroxy-lambda4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-5-(trihydroxy-lambda4-sulfanyl)oxyoxan-3-yl]methoxymethyl]-6-methyl-5-(trihydroxy-lambda4-sulfanyl)oxyoxan-3-yl]methoxymethyl]-6-methyloxan-4-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(2S,4S,5R)-3,5-dihydroxy-2-[[(2R,4S,5R)-4-[[(2S,4S,5R)-4-[[(2S,4S,5S)-4-hydroxy-6-methyl-3,5-bis[(trihydroxy-lambda4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-6-methyl-3,5-bis[(trihydroxy-lambda4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-2-[[(2R,4S,5R)-2-[[(2R,4S,5R)-2-hydroxy-6-methyl-3,5-bis[(trihydroxy-lambda4-sulfanyl)oxy]oxan-4-yl]methoxymethyl]-6-methyl-4-[[(2S,4S,5R)-6-methyl-3,4,5-tris[(trihydroxy-lambda4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-5-(trihydroxy-lambda4-sulfanyl)oxyoxan-3-yl]methoxymethyl]-6-methyl-5-(trihydroxy-lambda4-sulfanyl)oxyoxan-3-yl]methoxymethyl]-6-methyloxan-4-yl] hydrogen sulfate
• 英文别名: [(2S,4S,5R)-3,5-dihydroxy-2-[[(2R,4S,5R)-4-[[(2S,4S,5R)-4-[[(2S,4S,5S)-4-hydroxy-6-methyl-3,5-bis[(trihydroxy-λ4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-6-methyl-3,5-bis[(trihydroxy-λ4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-2-[[(2R,4S,5R)-2-[[(2R,4S,5R)-2-hydroxy-6-methyl-3,5-bis[(trihydroxy-λ4-sulfanyl)oxy]oxan-4-yl]methoxymethyl]-6-methyl-4-[[(2S,4S,5R)-6-methyl-3,4,5-tris[(trihydroxy-λ4-sulfanyl)oxy]oxan-2-yl]methoxymethyl]-5-(trihydroxy-λ4-sulfanyl)oxyoxan-3-yl]methoxymethyl]-6-methyl-5-(trihydroxy-λ4-sulfanyl)oxyoxan-3-yl]methoxymethyl]-6-methyloxan-4-yl] hydrogen sulfate
• 化学式: C₅₄H₁₁₈O₆₅S₁₂
• 分子量: 2192.3
• InChiKey: TVPTUIRGCXJYNK-PUVJFCFRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -9.1
• 重原子数：
  131
• 可旋转键数：
  48
• 环数：
  7.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1050
• 氢给体数：
  38
• 氢受体数：
  76