[2-[[16-Hydroxy-6-methoxy-7,9,13-trimethyl-6-[3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-14-yl]oxy]-5-sulfooxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] acetate

• 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-[[16-Hydroxy-6-methoxy-7,9,13-trimethyl-6-[3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-14-yl]oxy]-5-sulfooxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] acetate
• 英文别名: [2-[[16-hydroxy-6-methoxy-7,9,13-trimethyl-6-[3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]but-3-enyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-14-yl]oxy]-5-sulfooxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-4-yl] acetate
• 化学式: C₄₇H₇₄O₂₂S
• 分子量: 1023.1
• InChiKey: OWSXBHBWPNFIBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  70
• 可旋转键数：
  16
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  334
• 氢给体数：
  9
• 氢受体数：
  22