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夹竹桃苷 | 12738-19-1

夹竹桃苷结构式图片|12738-19-1结构式图片
中文名称:夹竹桃苷
英文名称:Odoroside A
CAS No.:12738-19-1 分子式:C30H46O7 分子量:518.6821
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:夹竹桃苷结构式
国内供应商
夹竹桃苷的其他展现形式
  • 相关化合物
乙酰洋地黄毒甙 Card-20(22)-enolide,3-[(O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- CAS No.:1111-39-3
毛花洋地黄苷A Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®4)-O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3b,5b)- CAS No.:17575-20-1
毛花苷C Card-20(22)-enolide,3-[(O-b-D-glucopyranosyl-(1®4)-O-3-O-acetyl-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-O-2,6-dideoxy-b-D-ribo-hexopyranosyl-(1®4)-2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-,(3b,5b,12b)- CAS No.:17575-22-3
毒毛花苷K Strophanthin CAS No.:11005-63-3
Card-20(22)-enolide,3-[(2,6-dideoxy-b-D-ribo-hexopyranosyl)oxy]-14-hydroxy-,(3b,5b)- CAS No.:18404-43-8
Card-20(22)-enolide,3-[[2,6-dideoxy-4-O-(2,6-dideoxy-b-D-ribo-hexopyranosyl)-b-D-ribo-hexopyranosyl]oxy]-14-hydroxy-, (3b,5b)- CAS No.:16479-50-8
名称和标识符
InChIKey YBZZSZQZDODUAA-FNFYTULRSA-N
Inchi 1S/C30H46O7/c1-17-27(32)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(31)35-16-18/h13,17,19-24,26-27,32-33H,5-12,14-16H2,1-4H3/t17-,19-,20+,21-,22+,23-,24-,26+,27+,28+,29-,30+/m1/s1
SMILES O([H])[C@]12C([H])([H])C([H])([H])[C@]([H])(C3=C([H])C(=O)OC3([H])[H])[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21[H])O[C@@]1([H])C([H])([H])[C@]([H])([C@]([H])([C@@]([H])(C([H])([H])[H])O1)O[H])OC([H])([H])[H]
别名信息
- 中文别名 -
夹竹桃苷
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- 英文别名 -
Card-20(22)-enolide,3-[(2,6-dideoxy-3-O-methyl-b-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-, (3b,5b)- 3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22 )-enolide Dopa O-Quinone DOPA quinone L-dopaquinone o-Dopaquinone odoroside-A Odorosid a Odoroside A Odorosid A [german] Digitoxigenin diginoside 3β-[(3-O-Methyl-2,6-dideoxy-β-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-5β-card-20(22)-enolide 3β-[(3-O-Methyl-2,6-dideoxy-β-D-lyxo-hexopyranosyl)oxy]-14-hydroxy-5β,14β-carda-20(22)-enolide BDBM50465466
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物化性质
 计算特性
精确分子量 518.32400
氢键供体数量 2
氢键受体数量 7
可旋转化学键数量 4
同位素质量 518.32435380 g/mol
重原子数量 37
复杂度 935
同位素原子数量 0
确定原子立构中心数量 12
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 3
拓扑分子极性表面积 94.4
分子量 518.7
 实验特性
LogP 4.13940
PSA 94.45000
熔点 200-206 ºC
溶解度 几乎不溶 (0.099 g/L) (25 ºC),
密度 1.22±0.1 g/cm3 (20 ºC 760 Torr),
化合物详情(旧版)
 
扩展阅读
夹竹桃苷 http://www.biopurify.cn/p-3113.html
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