[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 8-formyl-9,12-dihydroxy-5a,5b,8,11a,13b-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[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: [6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 8-formyl-9,12-dihydroxy-5a,5b,8,11a,13b-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylate
• 化学式: C₄₉H₇₈O₁₉
• 分子量: 971.1
• InChiKey: YMPJGYMIBRJKIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  68
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  312
• 氢给体数：
  11
• 氢受体数：
  19