[2,3,4,5-Tetrahydroxy-6-[[2,3,4-trihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]oxan-2-yl] 5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: [2,3,4,5-Tetrahydroxy-6-[[2,3,4-trihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]oxan-2-yl] 5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
• 英文别名: [2,3,4,5-tetrahydroxy-6-[[2,3,4-trihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]oxan-2-yl] 5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate
• 化学式: C₅₄H₈₈O₂₅
• 分子量: 1137.3
• InChiKey: HXAHDFAZDSJARK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  79
• 可旋转键数：
  13
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  415
• 氢给体数：
  16
• 氢受体数：
  25