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164240886 分子结构
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(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2R,3R,4S,5R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymeth yl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-y l)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-p yran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol

ChemBase编号:184976
分子式:C40H68O33
平均质量:1076.94812
单一同位素质量:1076.36428464
SMILES和InChIs

SMILES:
C1(C(C(C(C(O1)CO)O)O)O)OC1C(C(C(OC1CO)OC1C(C(C(OC1CO)OC1C(C(C(OC1CO)OC1C(C(C(OC2C(C(C(OC3C(C(C(OC3C)O)O)O)OC2)O)O)OC1)O)O)O)O)O)O)O)O
Canonical SMILES:
OCC1OC(OC2COC(C(C2O)O)OC2COC(C(C2O)O)OC2C(C)OC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)OC1OC(CO)C(C(C1O)O)O)O)O
InChI:
InChI=1S/C40H68O33/c1-8-30(19(49)23(53)34(60)63-8)70-36-25(55)16(46)13(6-62-36)68-35-24(54)17(47)14(7-61-35)69-37-27(57)20(50)31(10(3-42)65-37)72-39-29(59)22(52)33(12(5-44)67-39)73-40-28(58)21(51)32(11(4-43)66-40)71-38-26(56)18(48)15(45)9(2-41)64-38/h8-60H,2-7H2,1H3
InChIKey:
PMDLYXCIJSNBTN-UHFFFAOYSA-N

引用这个纪录

CBID:184976 http://www.chembase.cn/molecule-184976.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2R,3R,4S,5R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymeth yl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-y l)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-p yran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol
IUPAC传统名
(2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5S)-5-(((2R,3R,4S,5R)-5-(((2R,3R,4R,5S,6R)-5-(((2R,3R,4S,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymeth yl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-y l)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-p yran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2,3,4-triol
PubChem SID
164240886
PubChem CID
4220735

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格
InterBioScreen
STOCK1N-11033 external link 加入购物车 请登录
数据来源 数据ID
PubChem 4220735 external link

理论计算性质

理论计算性质

JChem
里宾斯基五规则 false 

分子性质

分子性质

产品相关信息 生物活性(PubChem)
简要说明
Polymer, n=65-66 expand 查看数据来源
分类
Genuine Natural Compounds expand 查看数据来源

详细说明

详细说明

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参考文献

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