(3β,22α,25R)-26-(β-D-glucopyranosyloxy)-17α-hydroxy-22-methoxyfurost-5-en-3-yl- O-α-L-rhamnopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside | 84754-05-2

• 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: (3β,22α,25R)-26-(β-D-glucopyranosyloxy)-17α-hydroxy-22-methoxyfurost-5-en-3-yl- O-α-L-rhamnopyranosyl-(1→2)-[α-L-rhamnopyranosyl-(1→4)]-β-D-glucopyranoside
• 英文别名: (25R)-26-[(β-D-glucopyranosyl)oxy]-17α-hydroxy-22α-methoxyfurost-5-en-3β-yl α-L-rhamnopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->4)]-β-D-glucopyranoside；22-O-methylprotodioscin；(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-6-[[(1R,2S,4S,6R,7S,8S,9S,12S,13R,16S)-8-hydroxy-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-16-yl]oxy]-2-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS: 84754-05-2
• 化学式: C₅₂H₈₆O₂₃
• 分子量: 1079.24
• InChiKey: CWIKVNQCUFTBDL-VXUSKYIJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  75
• 可旋转键数：
  15
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  355
• 氢给体数：
  13
• 氢受体数：
  23