[4,5-Dihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(3-methylbut-3-en-2-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-5-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [4,5-Dihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(3-methylbut-3-en-2-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-5-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 英文别名: [4,5-dihydroxy-6-[3-hydroxy-2-(hydroxymethyl)-6-[[16-hydroxy-2,6,6,10,16-pentamethyl-18-(3-methylbut-3-en-2-yl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]-5-(3,4,5,6-tetrahydroxyoxan-2-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
• 化学式: C₄₈H₇₈O₂₂S
• 分子量: 1039.2
• InChiKey: JKPJAGPPCVHEDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  71
• 可旋转键数：
  12
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  348
• 氢给体数：
  11
• 氢受体数：
  22