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球花苦苷 | 1399-49-1

球花苦苷结构式图片|1399-49-1结构式图片
球花苦苷
Globularin
1399-49-1
C23H26O11
478.44594
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:球花苦苷结构式
21603201
球花苦苷价格
名称和标识符
InChIKey DHEYIUHMCLTWON-ZHIVSYGCSA-N
Inchi InChI=1S/C23H26O11/c24-10-13-17(27)18(28)19(29)22(31-13)32-21-15-12(8-9-30-21)16(26)20-23(15,34-20)33-14(25)7-6-11-4-2-1-3-5-11/h1-9,12-13,15-22,24,26-29H,10H2/b7-6+/t12?,13-,15?,16+,17-,18+,19-,20-,21?,22-,23+/m1/s1
SMILES OC[C@H]1O[C@H](OC2OC=CC3C2[C@@]2(O[C@@H]2[C@H]3O)OC(/C=C/C2C=CC=CC=2)=O)[C@H](O)[C@@H](O)[C@@H]1O
别名信息
- 中文别名 -
  • 球花苦苷
  • 球花苦苷(分析标准品)
- 英文别名 -
  • b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]methyl]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
  • [(1aR,2S,6S,6aR)-6-hydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-1a-yl] (E)-3-phenylprop-2-enoate
  • [(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-hydroxy-1a-[(cinnamoyloxy)methyl]oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
  • b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]m
  • Globularin
  • [ "" ]
  • [(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-hydroxy-1aβ-[[[(E)-1-oxo-3-phenyl-2-propenyl]oxy]methyl]oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
  • 58286-51-4
  • SCHEMBL9057920
  • AKOS040761785
  • NCGC00168968-03
  • beta-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(((1-oxo-3-phenyl-2-propenyl)oxy)methyl)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl
  • NCGC00168968-03_C24H28O11_[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-phenylacrylate
  • NS00093932
  • ACon1_000554
  • 1399-49-1
  • NCGC00168968-01
  • BRD-K81328790-001-01-4
  • [(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-2-yl]methyl (E)-3-phenylprop-2-enoate
  • DTXSID301347703
  • FS-10335
  • Scutellarioside I
  • MEGxp0_000535
  • b-D-Glucopyranoside,(1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-[[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]Methyl]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
  • [(1S,2S,4S,5S,6R,10S)-5-hydroxy-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.0^{2,4]dec-7-en-2-yl]methyl (E)-3-phenylprop-2-enoate
  • -D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-[[[(2E)-1-oxo-3-phenyl-2-propenyl]oxy]methyl]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
物化性质
实验特性
LogP -1.32600
PSA 167.67000
沸点 778.6±60.0 °C at 760 mmHg
蒸气压 0.0±2.8 mmHg at 25°C
闪点 267.5±26.4 °C
颜色与性状 Powder
密度 1.6±0.1 g/cm3
计算特性
精确分子量 492.16300
氢键供体数量 5
氢键受体数量 11
可旋转化学键数量 8
同位素质量 492.16316171g/mol
重原子数量 35
复杂度 826
同位素原子数量 0
确定原子立构中心数量 11
不确定原子立构中心数量 0
确定化学键立构中心数量 1
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) -0.6
拓扑分子极性表面积 168Ų
相关文献
专业数据库参考
PubChemId 21603201
参考资料
Reaxys RN
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