12α,14β,20-trihydroxypregn-5-en-3β-yl O-β-D-glucopyranosyl-(1->4)-O-β-D-diginopyranosyl-(1->4)-O-β-D-cymaropyranosyl-(1->4)-O-β-D-cymaropyranosyl-(1->4)-O-β-D-oleandropyranosyl-(1->4)-β-D-oleandropyranoside | 1253204-21-5

• 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: 12α,14β,20-trihydroxypregn-5-en-3β-yl O-β-D-glucopyranosyl-(1->4)-O-β-D-diginopyranosyl-(1->4)-O-β-D-cymaropyranosyl-(1->4)-O-β-D-cymaropyranosyl-(1->4)-O-β-D-oleandropyranosyl-(1->4)-β-D-oleandropyranoside
• 英文别名: amurensioside I；(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4S,6S)-6-[(2R,3R,4R,6S)-6-[(2R,3R,4R,6R)-6-[[(3S,8R,9S,10R,12S,13S,14S)-12,14-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
• CAS: 1253204-21-5
• 化学式: C₆₂H₁₀₄O₂₄
• 分子量: 1233.49
• InChiKey: LBKJTEZODYQPBU-QILBFSQPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  86
• 可旋转键数：
  19
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  299
• 氢给体数：
  7
• 氢受体数：
  24

反应信息

• 作为反应物：
  描述：

  12α,14β,20-trihydroxypregn-5-en-3β-yl O-β-D-glucopyranosyl-(1->4)-O-β-D-diginopyranosyl-(1->4)-O-β-D-cymaropyranosyl-(1->4)-O-β-D-cymaropyranosyl-(1->4)-O-β-D-oleandropyranosyl-(1->4)-β-D-oleandropyranoside 在 盐酸 、 水 作用下， 以 1,4-二氧六环 为溶剂， 反应 1.5h， 生成 D-cymarose 、 D-葡萄糖 、 D-diginose 、 D-oleandropyranose
  参考文献：
  名称：

  Amurensiosides A–K, 11 new pregnane glycosides from the roots of Adonis amurensis

  摘要：

  Five new pregnane tetraglycosides, amurensiosides A-E (1-5), two new pregnane hexaglycosides, amurensiosides F(6) and 1(9), two new 18-norpregnane hexaglycosides,amurensiosides G (7) and H (8), and two new pregnane octaglycosides, amurensiosides J (10) and K(11), were isolated from the MeOH extract of the roots of Adonis amurensis. The structures of the new compounds were determined on the basis of extensive spectroscopic analysis, including two-dimensional (2D) NMR data, and the results of hydrolytic cleavage. The isolated compounds were evaluated for their cytotoxic activity against HSC-2 human oral squamous cell carcinoma cells. (C) 2009 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2009.10.008