methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosan-7-yl]hexyl]-4,5,16,21-tetrahydroxy-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosane-17-carboxylate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosan-7-yl]hexyl]-4,5,16,21-tetrahydroxy-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosane-17-carboxylate
• 化学式: C₆₂H₉₄O₂₂
• 分子量: 1191.4
• InChiKey: ZLZXFPXPHHITTL-ASMVMCBCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  84
• 可旋转键数：
  13
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  344
• 氢给体数：
  10
• 氢受体数：
  22