(5β,25S)-26-O-β-D-glucopyranosyl-furost-20(22)-ene-1β,3β,26-triol 1-O-β-D-arabinopyranoside 3-O-α-L-rhamnopyranoside | 1418027-55-0

• 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: (5β,25S)-26-O-β-D-glucopyranosyl-furost-20(22)-ene-1β,3β,26-triol 1-O-β-D-arabinopyranoside 3-O-α-L-rhamnopyranoside
• 英文别名: reinocarnoside C；(2S,3R,4R,5R,6R)-2-methyl-6-[[(1S,2S,4S,8S,9S,12S,13S,14R,16R,18R)-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-14-[(2S,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-16-yl]oxy]oxane-3,4,5-triol
• CAS: 1418027-55-0
• 化学式: C₄₄H₇₂O₁₇
• 分子量: 873.045
• InChiKey: LJSPUULMZNBDCQ-JVWURJSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  61
• 可旋转键数：
  11
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  267
• 氢给体数：
  10
• 氢受体数：
  17

反应信息

• 作为反应物：
  描述：

  (5β,25S)-26-O-β-D-glucopyranosyl-furost-20(22)-ene-1β,3β,26-triol 1-O-β-D-arabinopyranoside 3-O-α-L-rhamnopyranoside 在 盐酸 、 水 作用下， 生成 阿拉伯糖 、 L-鼠李糖 、 葡萄糖
  参考文献：
  名称：

  Three new steroidal glycosides from roots ofReineckia carnea

  摘要：

  Two new spirostanols and a new furostanol, reinocarnoside A (1), B (2) and C (3), were isolated from the roots of Reineckia carnea, together with two known compounds, (25S)-1,3,4-trihydroxyspirostan-5-yl-O--D-glucopyranoside (4), kitigenin-5-O--D-glucopyranoside (5). The structures of three new compounds were elucidated by spectroscopic methods including 1-D NMR, 2-D NMR and MS spectrums, and their anticancer activities were evaluated by MTT method.

  DOI：

  10.1080/14786419.2012.658797

文献信息

• Three new steroidal glycosides from roots of<i>Reineckia carnea</i>
  作者：Qian Wang、Qune Hou、Zhiyong Guo、Kun Zou、Yanhong Xue、Nianyu Huang、Fan Cheng、Yuan Zhou

  DOI：10.1080/14786419.2012.658797

  日期：2013.1

  Two new spirostanols and a new furostanol, reinocarnoside A (1), B (2) and C (3), were isolated from the roots of Reineckia carnea, together with two known compounds, (25S)-1,3,4-trihydroxyspirostan-5-yl-O--D-glucopyranoside (4), kitigenin-5-O--D-glucopyranoside (5). The structures of three new compounds were elucidated by spectroscopic methods including 1-D NMR, 2-D NMR and MS spectrums, and their anticancer activities were evaluated by MTT method.