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重楼皂苷H | 81917-50-2

重楼皂苷H结构式图片|81917-50-2结构式图片
中文名称:重楼皂苷H
英文名称:Polyphyllin H
CAS No.:81917-50-2 分子式:C44H70O17 分子量:871.0164
如需查看该化合物的详细结构式,mol文件,smile, InChi 请点击:重楼皂苷H结构式
价格行情:重楼皂苷H价格
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重楼皂苷H的其他展现形式
  • 相关化合物
重楼皂苷VII Chonglou Saponin VII CAS No.:68124-04-9
重楼皂苷I (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-5-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(5'R,6R,7S,8R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol CAS No.:50773-41-6
重楼皂苷 VI (2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R)-8-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol CAS No.:55916-51-3
重楼皂苷 II (3R,4R,5R,6S)-2-[(2R,3R,4R,6R)-3-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol CAS No.:76296-72-5
蜕皮激素 20-Hydroxyecdysone CAS No.:5289-74-7
七叶莲提取物 (2S,3S,4S,5S,6R)-2-[(2R,3S,4R,5S,6S)-4,5-Dihydroxy-6-[(2S,3S,4R,5S,6R)-4-hydroxy-2-(hydroxymethyl)-6-[(1R,2S,4R,5'S,6R,7R,8R,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-2-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol CAS No.:50773-42-7
名称和标识符
InChIKey DEUSODBYLVUUQI-PZZYPAMBSA-N
Inchi 1S/C44H70O17/c1-19-8-13-43(54-18-19)21(3)44(53)29(61-43)15-26-24-7-6-22-14-23(9-11-41(22,4)25(24)10-12-42(26,44)5)56-40-37(60-38-34(51)32(49)30(47)20(2)55-38)35(52)36(28(17-46)58-40)59-39-33(50)31(48)27(16-45)57-39/h6,19-21,23-40,45-53H,7-18H2,1-5H3/t19?,20?,21?,23?,24-,25-,26+,27?,28?,29+,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41+,42+,43-,44-/m1/s1
SMILES O1[C@]2(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])O2)C([H])(C([H])([H])[H])[C@]2([C@]1([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])=C4C([H])([H])C([H])(C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]12C([H])([H])[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])O[H])O1)OC1([H])C([H])(C([H])(C([H])(C([H])([H])O[H])O1)O[H])O[H])O[H])OC1([H])C([H])(C([H])(C([H])(C([H])(C([H])([H])[H])O1)O[H])O[H])O[H])O[H]
别名信息
- 中文别名 -
重楼皂苷H (3beta,25R)-17-羟基螺甾-5-烯-3-基 O-alpha-L-呋喃阿拉伯糖基-(1→4)-O-[6-脱氧-alpha-L-甘露糖基-(1→2)]-beta-D-吡喃葡萄糖苷
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- 英文别名 -
Polyphyllin H polygonatoside C1 2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1R,2S,4S,6R,8S, PolyphyllinH
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物化性质
 计算特性
精确分子量 870.46100
氢键供体数量 9
氢键受体数量 17
可旋转化学键数量 8
同位素质量 870.46130076 g/mol
重原子数量 61
复杂度 1620
同位素原子数量 0
确定原子立构中心数量 25
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) 0.2
拓扑分子极性表面积 256
分子量 871.0
 实验特性
LogP -0.03190
PSA 255.91000
溶解度 Insuluble (2.0E-3 g/L) (25 ºC),
颜色与性状 Powder
密度 1.44±0.1 g/cm3 (20 ºC 760 Torr),
重楼皂苷H推荐生产厂家

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