Furostan-12-one, 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->3)-O-[beta-D-xylopyranosyl-(1-->2)]-O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-22-hydroxy-, (3beta,5alpha,22alpha,25R)- | 58546-21-7

• 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: Furostan-12-one, 3-[(O-6-deoxy-alpha-L-mannopyranosyl-(1-->4)-O-6-deoxy-alpha-L-mannopyranosyl-(1-->3)-O-[beta-D-xylopyranosyl-(1-->2)]-O-beta-D-glucopyranosyl-(1-->4)-O-beta-D-glucopyranosyl-(1-->4)-beta-D-galactopyranosyl)oxy]-26-(beta-D-glucopyranosyloxy)-22-hydroxy-, (3beta,5alpha,22alpha,25R)-
• 英文别名: 16-[5-[5-[4-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-6-[3-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-10-one
• CAS: 58546-21-7
• 化学式: C₆₈H₁₁₂O₃₇
• 分子量: 1521.6
• InChiKey: IMDVEXVWVKJLBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -7.4
• 重原子数：
  105
• 可旋转键数：
  22
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.99
• 拓扑面积：
  580
• 氢给体数：
  21
• 氢受体数：
  37