26-O-β-D-glucopyranosyl-3β,26-dihydroxyl-20,22-seco-(25R)-furost-5-en-20,22-dione 3-O-β-D-xylopyranosyl(1->4)-[α-L-rhamnopyranosyl(1->2)]-β-D-glucopyranoside | 1383540-05-3

• 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-3β,26-dihydroxyl-20,22-seco-(25R)-furost-5-en-20,22-dione 3-O-β-D-xylopyranosyl(1->4)-[α-L-rhamnopyranosyl(1->2)]-β-D-glucopyranoside
• 英文别名: pallidifloside H；[(3S,8S,9S,10R,13S,14S,16S,17R)-17-acetyl-3-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] (4R)-4-methyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoate
• CAS: 1383540-05-3
• 化学式: C₅₀H₈₀O₂₃
• 分子量: 1049.17
• InChiKey: XQCHWRVJSPRDEY-NPPXRMTCSA-N

物化性质

• 沸点：
  1119.7±65.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  73
• 可旋转键数：
  17
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  360
• 氢给体数：
  12
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  26-O-β-D-glucopyranosyl-3β,26-dihydroxyl-20,22-seco-(25R)-furost-5-en-20,22-dione 3-O-β-D-xylopyranosyl(1->4)-[α-L-rhamnopyranosyl(1->2)]-β-D-glucopyranoside 在 盐酸 、 水 作用下， 反应 8.0h， 生成
  参考文献：
  名称：

  Steroidal saponins from Fritillaria pallidiflora Schrenk

  摘要：

  Five new steroidal saponins, Pallidifloside D (1), Pallidifloside E (2), Pallidifloside G (5), Pallidifloside H (6) and Pallidifloside I (7), together with seven other steroidal saponins (3,4,8-12) were isolated from the dry bulbs of Fritillaria pallidiflora Schrenk. Their structures were established by spectroscopic techniques (IR, MS, 1D and 2D NMR) and chemical means. The isolated steroidal saponins were evaluated for cyotoxic activity against human C6 brain gliomas and Hela cervix cancer cell lines using MTT assays. Compounds 1, 10, 11, 12 showed cytotoxicity against C6 and Bela cell lines with IC50 values in the range of 5.1-75.8 mu M. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2012.03.008