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葡萄糖芥苷 | 11006-14-7

葡萄糖芥苷结构式图片|11006-14-7结构式图片
葡萄糖芥苷
Card-20(22)-enolide,3-[(2,6-dideoxy-4-O-b-D-glucopyranosyl-b-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-, (3b,5b)- (9CI)
11006-14-7
C35H54O14
698.79486
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:葡萄糖芥苷结构式
25438
简介
葡萄糖芥苷中文别名是葡萄糖芥苷,英文名称是Card-20(22)-enolide,3-[(2,6-dideoxy-4-O-b-D-glucopyranosyl-b-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-, (3b,5b)- (9CI)
名称和标识符
InChIKey FWXUQGTVECLNCB-IFIMPTMHSA-N
Inchi InChI=1S/C35H54O14/c1-17-30(23(37)12-26(39)47-17)46-15-24-27(40)28(41)29(42)31(49-24)48-19-3-8-33(16-36)21-4-7-32(2)20(18-11-25(38)45-14-18)6-10-35(32,44)22(21)5-9-34(33,43)13-19/h11,17,19-24,26-31,36-37,39-44H,3-10,12-16H2,1-2H3/t17?,19-,20+,21?,22?,23-,24?,26-,27-,28+,29+,30+,31+,32+,33-,34-,35-/m0/s1
SMILES O[C@@H]1C[C@H](O)[C@H](OCC2O[C@@H](O[C@H]3CC[C@@]4(C5CC[C@@]6([C@H](CC[C@]6(O)C5CC[C@]4(O)C3)C3COC(=O)C=3)C)CO)[C@H](O)[C@H](O)[C@H]2O)C(C)O1
别名信息
- 中文别名 -
  • 葡萄糖芥苷
- 英文别名 -
  • Card-20(22)-enolide,3-[(2,6-dideoxy-4-O-b-D-glucopyranosyl-b-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-, (3b,5b)- (9CI)
  • Card-20(22)-enolide,3-[(2,6-dideoxy-4-O-b-D-glucopyranosyl-b-D-ribo-hexopyranosyl)oxy]-5,14,19...
  • (3beta,5beta)-3-((2,6-Dideoxy-4-O-beta-D -glucopyranosyl-beta-D -ribo-hexopyranosyl)oxy)-5,14,19-trihydroxycard-20(22)-enolide
  • 4-[(3S,5S,10R,13R,14S,17R)-3-{[(2R,5S)-6-({[(3R,6S)-4,6-dihydroxy-2-methyltetrahydro-2H-pyran-3-yl]oxy}methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl]ox
  • Card-20(22)-enolide, 3-((2,6-dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy)-5,14,19-trihydroxy-, (3-beta,5-beta)-
  • Erysimosol
  • Erysimosole
  • 3β-[(4-O-β-D-Glucopyranosyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-5β-card-20(22)-enolide
  • (3β,5β)-3-[(4-O-β-D-Glucopyranosyl-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
  • (3beta,5beta)-3-[(2,6-dideoxy-4-O-beta-D\-glucopyranosyl-beta-D\-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
  • (3beta,5beta)-3-[(2,6-dideoxy-4-O-beta-D-glucopyranosyl-beta-D-ribo-hexopyranosyl)oxy]-5,14,19-trihy
  • Erysimole
  • 11006-14-7
  • EINECS 234-240-4
  • 3-[(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-6-[[(3R,6S)-4,6-dihydroxy-2-methyloxan-3-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
物化性质
实验特性
PSA 225.06
计算特性
精确分子量 698.35142
氢键供体数量 8
氢键受体数量 14
可旋转化学键数量 7
同位素质量 698.35135639g/mol
重原子数量 49
复杂度 1280
同位素原子数量 0
确定原子立构中心数量 10
不确定原子立构中心数量 7
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) -1.8
拓扑分子极性表面积 225Ų
专业数据库参考
PubChemId 25438
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