(25R)-O-β-D-glucopyranosyl-22-O-methylfurost-5-ene-3β,22ξ,26-triol 3-O-2)-O-<β-D-glucopyranosyl-(1->4)>-β-D-glucopyranoside> | 94992-07-1

• 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: (25R)-O-β-D-glucopyranosyl-22-O-methylfurost-5-ene-3β,22ξ,26-triol 3-O-2)-O-<β-D-glucopyranosyl-(1->4)>-β-D-glucopyranoside>
• 英文别名: 26-O-β-D-glucopyranosyl-22-O-methylfurost-5-ene-3β,26-diol 3-O-<α-L-rhamnopyranosyl(1<*>2)>-<β-D-glucopyranosyl(1<*>4)>-β-D-glucopyranoside；22-O-methyl-26-O-β-D-glucopyranosyl-(25R)-furost-5-ene-3β,22ξ,26-triol 3-O--β-D-glucopyranoside>；methyl proto-deltonin；26-O-β-D-glucopyranosyl-22-O-methylfurost-5-ene-3β,26-diol 3-O-[α-L-rhamnopyranosyl(1[*]2)]-[β-D-glucopyranosyl(1[*]4)]-β-D-glucopyranoside；(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[[(1S,2S,4S,7S,8R,9S,12S,13R,16S)-6-methoxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-[(2S,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]-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
• CAS: 94992-07-1
• 化学式: C₅₂H₈₆O₂₃
• 分子量: 1079.24
• InChiKey: WMQWOVNVLJJJIH-YHMDJCLFSA-N

物化性质

• 密度：
  1.46±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  75
• 可旋转键数：
  16
• 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

反应信息

• 作为反应物：
  描述：

  (25R)-O-β-D-glucopyranosyl-22-O-methylfurost-5-ene-3β,22ξ,26-triol 3-O-2)-O-<β-D-glucopyranosyl-(1->4)>-β-D-glucopyranoside> 以 水 为溶剂， 反应 4.0h， 生成 三角叶薯蓣皂苷
  参考文献：
  名称：

  Hirai, Yasuaki; Sanada, Shuichi; Ida, Yoshiteru, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 10, p. 4003 - 4011

  摘要：

  DOI：
• 作为产物：
  描述：

  甲醇 、 原三角叶皂苷 反应 5.0h， 生成 (25R)-O-β-D-glucopyranosyl-22-O-methylfurost-5-ene-3β,22ξ,26-triol 3-O-2)-O-<β-D-glucopyranosyl-(1->4)>-β-D-glucopyranoside>
  参考文献：
  名称：

  Watanabe, Yoshiaki; Sanada, Shuichi; Ida, Yoshiteru, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 10, p. 3486 - 3495

  摘要：

  DOI：

文献信息

• Steroidal saponins from the bulbs of Lilium longiflorum and their antitumour-promoter activity
  作者：Yoshihiro Mimaki、Osamu Nakamura、Yutaka Sashida、Yoshiko Satomi、Atsuko Nishino、Hoyoku Nishino

  DOI：10.1016/0031-9422(94)85030-5

  日期：1994.1

  3-O-(O-alpha-L-rhamnopyranosyl-(1 --> 2)- O-[beta-D-xylopyranosyl-(1 --> 3)]-beta-D-glucopyranoside). The isolated saponins and their derivatives were examined for inhibitory activity on 12-O-tetradecanoylphorbol-13-acetate (TPA)-stimulated 32P-incorporation into phospholipids of HeLa cells as the primary screening test to find new antitumour-promoter compounds.

  从长花百合的新鲜鳞茎中分离出两种新的螺甾醇皂苷和两种新的呋甾醇皂苷以及几种已知的皂苷。新化合物的结构被确定为 (25S)-spirost-5-ene-3 beta, 27-diol 3-O-(O-alpha-L-rhamnopyranosyl-(1-->2)-O- [alpha -L-阿拉伯吡喃糖基-(1-->3)]-β-D-吡喃葡萄糖苷)，(25R)-27-O-[(S)-3-羟基-3-甲基戊二酰基]-spirost-5-ene-3 β,27二醇3-O-(O-α-L-吡喃鼠李糖基-(1-->2)-O-[α-L-阿拉伯吡喃糖基-(1-->3)]-β-D-吡喃葡萄糖苷)， 22-O-甲基-26-O-β-D-吡喃葡萄糖基-(25R)-furost-5-ene-3 beta,22 xi, 26-triol 3-O-(O-alpha-L-rhamnopyranosyl-(1 -->2)-O-[α-L
• Watanabe, Yoshiaki; Sanada, Shuichi; Ida, Yoshiteru, Chemical and pharmaceutical bulletin, 1983, vol. 31, # 10, p. 3486 - 3495
  作者：Watanabe, Yoshiaki、Sanada, Shuichi、Ida, Yoshiteru、Shoji, Junzo

  DOI：——

  日期：——
• Hirai, Yasuaki; Sanada, Shuichi; Ida, Yoshiteru, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 10, p. 4003 - 4011
  作者：Hirai, Yasuaki、Sanada, Shuichi、Ida, Yoshiteru、Shoji, Junzo

  DOI：——

  日期：——