2-[4,5-Dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-[[5-hydroxy-6,9,13-trimethyl-5-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-4-oxapentacyclo[10.8.0.02,9.03,7.013,18]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 2-[4,5-Dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-[[5-hydroxy-6,9,13-trimethyl-5-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-4-oxapentacyclo[10.8.0.02,9.03,7.013,18]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 英文别名: 2-[4,5-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-6-[[5-hydroxy-6,9,13-trimethyl-5-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-4-oxapentacyclo[10.8.0.02,9.03,7.013,18]icos-18-en-16-yl]oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• 化学式: C₅₇H₉₄O₂₆
• 分子量: 1195.3
• InChiKey: CCAIKWKFTGBEJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  83
• 可旋转键数：
  16
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  405
• 氢给体数：
  15
• 氢受体数：
  26