26-O-β-D-glucopyranosyl-22α-methoxy-(25R)-furostan-3β,26-diol 3-O-{β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside} | 244779-38-2

• 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: 26-O-β-D-glucopyranosyl-22α-methoxy-(25R)-furostan-3β,26-diol 3-O-{β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside}
• 英文别名: I(2)-D-Glucopyranoside, (3I(2),5I(2),22I+/-,25R)-26-(I(2)-D-glucopyranosyloxy)-22-methoxyfurostan-3-yl 2-O-I(2)-D-glucopyranosyl-；(2R,3R,4S,5S,6R)-2-[(2R)-4-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-methoxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 244779-38-2
• 化学式: C₄₆H₇₈O₁₉
• 分子量: 935.114
• InChiKey: FDASUPFDHLZNSK-PXGPMGNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  65
• 可旋转键数：
  14
• 环数：
  8.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  296
• 氢给体数：
  11
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  26-O-β-D-glucopyranosyl-22α-methoxy-(25R)-furostan-3β,26-diol 3-O-{β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside} 以 水 、 丙酮 为溶剂， 反应 10.0h， 生成 disporoside C
  参考文献：
  名称：

  来自非洲芦笋的甾体皂苷*1

  摘要：

  从非洲芦笋根中分离出的两种新的单链丝螺甾烷苷和一种新的双链丝螺甾烷醇苷的结构。（百合科）已被阐明为 (25R)-3 beta-hydroxy-5 beta-spirostan-12-one 3-O-{beta-D-glupyranosyl-(1-->2)-[alpha-1-arabinopyranosyl- (1--> 6)]-β-D-吡喃葡萄糖苷} (1), (25R)-5 beta-spirostan-3 beta-ol 3-O-{beta-D-glupyranosyl-(1-->2) -[α-L-阿拉伯吡喃糖基-(1--> 6)]-β-D-吡喃葡萄糖苷} (2) 和 26-O-β-D-吡喃葡萄糖基]-22 α-甲氧基-(25R)-呋喃坦-3 β,26-二醇 3-O-{β-D-吡喃葡萄糖基-(1-->2)-[β-D-吡喃葡萄糖苷} (3)，分别通过一维和二维核磁共振实验的结合使用。推导

  DOI：

  10.1016/s0031-9422(99)00051-5

文献信息

• Steroidal saponins from Asparagus africanus*1
  作者：A DEBELLA、E HASLINGER、O KUNERT、G MICHL、D ABEBE

  DOI：10.1016/s0031-9422(99)00051-5

  日期：1999.8

  two dimensional NMR experiments. The complete 13C and 1H assignments of the peracetyl spirostanosides and the furostanol oligoside were derived. The interconversions between the methoxyl and hydroxyl group at C-22 of the furostanol glycoside was investigated and the genuine furostanol oligoside of A. africanus appears to be the hydroxyl type based on the comparative study of the methanol, pyridine and

  从非洲芦笋根中分离出的两种新的单链丝螺甾烷苷和一种新的双链丝螺甾烷醇苷的结构。（百合科）已被阐明为 (25R)-3 beta-hydroxy-5 beta-spirostan-12-one 3-O-beta-D-glupyranosyl-(1-->2)-[alpha-1-arabinopyranosyl- (1--> 6)]-β-D-吡喃葡萄糖苷} (1), (25R)-5 beta-spirostan-3 beta-ol 3-O-beta-D-glupyranosyl-(1-->2) -[α-L-阿拉伯吡喃糖基-(1--> 6)]-β-D-吡喃葡萄糖苷} (2) 和 26-O-β-D-吡喃葡萄糖基]-22 α-甲氧基-(25R)-呋喃坦-3 β,26-二醇 3-O-β-D-吡喃葡萄糖基-(1-->2)-[β-D-吡喃葡萄糖苷} (3)，分别通过一维和二维核磁共振实验的结合使用。推导