(4aR,6S,7R,8R,8aR)-6-[[(4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R)-2-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aR)-8-[[(4aR,6S,7R,8R,8aR)-2-carboxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-carboxy-7-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-carboxy-7-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4aR,6S,7R,8R,8aR)-6-[[(4aR,6S,7R,8R,8aR)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R)-2-[[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[[(4aR,6S,7R,8R,8aR)-8-[[(4aR,6S,7R,8R,8aR)-2-carboxy-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-carboxy-7-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-carboxy-7-hydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-2-carboxylic acid
• 化学式: C₉₀H₁₃₆O₇₆
• 分子量: 2434.0
• InChiKey: JWJVVKKMHUPGML-RAXDHUIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -25.3
• 重原子数：
  166
• 可旋转键数：
  37
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  1160
• 氢给体数：
  37
• 氢受体数：
  76