Hmdb loader

Showing metabocard for Glucoliquiritin (HMDB0039508)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:59:21 UTC
Update Date2022-03-07 02:56:14 UTC
HMDB IDHMDB0039508
Secondary Accession Numbers
  • HMDB39508
Metabolite Identification
Common NameGlucoliquiritin
DescriptionGlucoliquiritin belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Glucoliquiritin has been detected, but not quantified in, herbs and spices. This could make glucoliquiritin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glucoliquiritin.
Structure
Data?1563863388
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0039508 (Glucoliquiritin)


  Mrv0541 05061311112D          

 41 45  0  0  0  0            999 V2000
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  2  0  0  0  0
 11  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 17 14  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28  9  1  0  0  0  0
 29 10  1  0  0  0  0
 30 15  2  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 37 12  1  0  0  0  0
 37 26  1  0  0  0  0
 38 13  1  0  0  0  0
 38 27  1  0  0  0  0
 39 16  1  0  0  0  0
 39 17  1  0  0  0  0
 40 18  1  0  0  0  0
 40 26  1  0  0  0  0
 41 19  1  0  0  0  0
 41 27  1  0  0  0  0
M  END
Download

3D MOL for HMDB0039508 (Glucoliquiritin)

HMDB0039508
     RDKit          3D
Glucoliquiritin
 73 77  0  0  0  0  0  0  0  0999 V2000
   -0.9516    5.5085    0.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129    4.2614    0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168    3.4087    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408    2.2050   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.3341   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.1131   -1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -0.6888   -1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278   -0.2685   -0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919   -1.1222   -0.7318 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8811   -0.9744   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8237   -1.0216   -1.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0308   -0.5088   -0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0231   -0.5849   -1.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2601   -0.0767   -1.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5244   -1.1913    0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7069   -0.2903    1.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628   -2.3437    0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826   -2.5306    2.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075   -2.1921    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593   -2.1657    1.7915 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    0.9481    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989    1.7309    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063    1.5019   -0.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2879    2.2035    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5321    1.5684    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7178    2.2318    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9311    1.6112    0.3115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1304    0.2619    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6923   -0.2580    1.3145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5810   -1.6448    1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6859   -2.2230    2.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9282   -1.8891    1.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5035   -2.2750   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0489   -3.5734    0.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2629   -1.5400   -1.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5877   -1.9754   -1.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1779   -0.0414   -0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8603    0.5792   -2.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6957    3.6158    0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    4.2658    0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961    3.5717    0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    3.1213    1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    4.0228    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030    2.5883   -1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668   -0.1938   -1.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743   -1.6459   -1.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.0409    0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8659    0.5685   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6602    0.0400   -2.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2045   -1.6407   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1521    0.3217   -0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5276   -1.6087    0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3896   -0.6337    2.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0195   -3.3084    0.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8530   -2.7046    2.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8121   -3.0707    0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3238   -3.1107    2.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4599    1.2728    0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132    2.6884    0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4822    0.4859   -0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2578   -0.3686   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6251   -1.8778    1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5155   -3.3260    2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5336   -1.7955    3.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3754   -1.1673    2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4295   -2.4117   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6112   -3.8073   -0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7994   -1.8132   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1502   -1.1795   -1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1579    0.3298   -0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6019    1.2170   -2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6344    4.1699    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4677    5.3378    0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  2  0
  4 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 26 39  2  0
 39 40  1  0
 40 41  2  0
 41  2  1  0
 22  5  1  0
 41 24  1  0
 19 10  1  0
 37 28  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  0
  7 46  1  0
 10 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 25 60  1  0
 28 61  1  0
 30 62  1  0
 31 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 34 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 38 71  1  0
 39 72  1  0
 40 73  1  0
M  END
Download

3D SDF for HMDB0039508 (Glucoliquiritin)


  Mrv0541 05061311112D          

 41 45  0  0  0  0            999 V2000
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  6  5  2  0  0  0  0
 11  1  2  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  1  0  0  0  0
 13  7  2  0  0  0  0
 14  6  1  0  0  0  0
 15  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16  8  1  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 17 14  2  0  0  0  0
 18  9  1  0  0  0  0
 19 10  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28  9  1  0  0  0  0
 29 10  1  0  0  0  0
 30 15  2  0  0  0  0
 31 20  1  0  0  0  0
 32 21  1  0  0  0  0
 33 22  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 37 12  1  0  0  0  0
 37 26  1  0  0  0  0
 38 13  1  0  0  0  0
 38 27  1  0  0  0  0
 39 16  1  0  0  0  0
 39 17  1  0  0  0  0
 40 18  1  0  0  0  0
 40 26  1  0  0  0  0
 41 19  1  0  0  0  0
 41 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039508

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2

> <INCHI_KEY>
UCUBMAVPVJYHIR-UHFFFAOYSA-N

> <FORMULA>
C27H32O14

> <MOLECULAR_WEIGHT>
580.5346

> <EXACT_MASS>
580.179205732

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
57.515664372639236

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
-0.60

> <JCHEM_LOGP>
-2.047462814666666

> <ALOGPS_LOGS>
-2.46

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.421312054851626

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.899110899575355

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092343686494

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999995

> <JCHEM_REFRACTIVITY>
133.59769999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.03e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0039508 (Glucoliquiritin)

HMDB0039508
     RDKit          3D
Glucoliquiritin
 73 77  0  0  0  0  0  0  0  0999 V2000
   -0.9516    5.5085    0.2370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0129    4.2614    0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2168    3.4087    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408    2.2050   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.3341   -0.5204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2163    0.1131   -1.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3351   -0.6888   -1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5278   -0.2685   -0.6246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919   -1.1222   -0.7318 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8811   -0.9744   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8237   -1.0216   -1.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0308   -0.5088   -0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0231   -0.5849   -1.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2601   -0.0767   -1.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5244   -1.1913    0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7069   -0.2903    1.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6628   -2.3437    0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826   -2.5306    2.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2075   -2.1921    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593   -2.1657    1.7915 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5367    0.9481    0.0113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3989    1.7309    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063    1.5019   -0.0347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2879    2.2035    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5321    1.5684    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7178    2.2318    0.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9311    1.6112    0.3115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1304    0.2619    0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6923   -0.2580    1.3145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5810   -1.6448    1.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6859   -2.2230    2.2225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9282   -1.8891    1.7214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5035   -2.2750   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0489   -3.5734    0.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2629   -1.5400   -1.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5877   -1.9754   -1.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1779   -0.0414   -0.9452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8603    0.5792   -2.1514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6957    3.6158    0.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    4.2658    0.4946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2961    3.5717    0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3829    3.1213    1.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1051    4.0228    0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030    2.5883   -1.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2668   -0.1938   -1.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2743   -1.6459   -1.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -0.0409    0.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8659    0.5685   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6602    0.0400   -2.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2045   -1.6407   -2.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1521    0.3217   -0.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5276   -1.6087    0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3896   -0.6337    2.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0195   -3.3084    0.3689 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8530   -2.7046    2.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8121   -3.0707    0.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3238   -3.1107    2.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4599    1.2728    0.4736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5132    2.6884    0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4822    0.4859   -0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2578   -0.3686   -0.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6251   -1.8778    1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5155   -3.3260    2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5336   -1.7955    3.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3754   -1.1673    2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4295   -2.4117   -0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6112   -3.8073   -0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7994   -1.8132   -2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1502   -1.1795   -1.3715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1579    0.3298   -0.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6019    1.2170   -2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6344    4.1699    0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4677    5.3378    0.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  8 21  1  0
 21 22  2  0
  4 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 26 39  2  0
 39 40  1  0
 40 41  2  0
 41  2  1  0
 22  5  1  0
 41 24  1  0
 19 10  1  0
 37 28  1  0
  3 42  1  0
  3 43  1  0
  4 44  1  0
  6 45  1  0
  7 46  1  0
 10 47  1  0
 12 48  1  0
 13 49  1  0
 13 50  1  0
 14 51  1  0
 15 52  1  0
 16 53  1  0
 17 54  1  0
 18 55  1  0
 19 56  1  0
 20 57  1  0
 21 58  1  0
 22 59  1  0
 25 60  1  0
 28 61  1  0
 30 62  1  0
 31 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 34 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 38 71  1  0
 39 72  1  0
 40 73  1  0
M  END
Download

PDB for HMDB0039508 (Glucoliquiritin)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      14.671  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.671  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      20.005  -2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      18.672   0.000   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      16.004   1.540   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      16.004  -3.080   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    3   11                                                       
CONECT    2    4   11                                                       
CONECT    3    1   12                                                       
CONECT    4    2   12                                                       
CONECT    5    6   13                                                       
CONECT    6    5   14                                                       
CONECT    7   13   17                                                       
CONECT    8   15   16                                                       
CONECT    9   18   28                                                       
CONECT   10   19   29                                                       
CONECT   11    1    2   16                                                  
CONECT   12    3    4   37                                                  
CONECT   13    5    7   38                                                  
CONECT   14    6   15   17                                                  
CONECT   15    8   14   30                                                  
CONECT   16    8   11   39                                                  
CONECT   17    7   14   39                                                  
CONECT   18    9   20   40                                                  
CONECT   19   10   21   41                                                  
CONECT   20   18   22   31                                                  
CONECT   21   19   23   32                                                  
CONECT   22   20   24   33                                                  
CONECT   23   21   25   34                                                  
CONECT   24   22   26   35                                                  
CONECT   25   23   27   36                                                  
CONECT   26   24   37   40                                                  
CONECT   27   25   38   41                                                  
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   15                                                            
CONECT   31   20                                                            
CONECT   32   21                                                            
CONECT   33   22                                                            
CONECT   34   23                                                            
CONECT   35   24                                                            
CONECT   36   25                                                            
CONECT   37   12   26                                                       
CONECT   38   13   27                                                       
CONECT   39   16   17                                                       
CONECT   40   18   26                                                       
CONECT   41   19   27                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END
Download

3D PDB for HMDB0039508 (Glucoliquiritin)

COMPND    HMDB0039508
HETATM    1  O1  UNL     1      -0.952   5.509   0.237  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.013   4.261   0.324  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.217   3.409   0.436  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.041   2.205  -0.437  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.225   1.334  -0.520  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.216   0.113  -1.158  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.335  -0.689  -1.221  1.00  0.00           C  
HETATM    8  C7  UNL     1       3.528  -0.269  -0.625  1.00  0.00           C  
HETATM    9  O2  UNL     1       4.592  -1.122  -0.732  1.00  0.00           O  
HETATM   10  C8  UNL     1       5.881  -0.974  -0.242  1.00  0.00           C  
HETATM   11  O3  UNL     1       6.824  -1.022  -1.296  1.00  0.00           O  
HETATM   12  C9  UNL     1       8.031  -0.509  -0.837  1.00  0.00           C  
HETATM   13  C10 UNL     1       9.023  -0.585  -1.977  1.00  0.00           C  
HETATM   14  O4  UNL     1      10.260  -0.077  -1.563  1.00  0.00           O  
HETATM   15  C11 UNL     1       8.524  -1.191   0.404  1.00  0.00           C  
HETATM   16  O5  UNL     1       8.707  -0.290   1.452  1.00  0.00           O  
HETATM   17  C12 UNL     1       7.663  -2.344   0.838  1.00  0.00           C  
HETATM   18  O6  UNL     1       7.883  -2.531   2.214  1.00  0.00           O  
HETATM   19  C13 UNL     1       6.208  -2.192   0.615  1.00  0.00           C  
HETATM   20  O7  UNL     1       5.459  -2.166   1.791  1.00  0.00           O  
HETATM   21  C14 UNL     1       3.537   0.948   0.011  1.00  0.00           C  
HETATM   22  C15 UNL     1       2.399   1.731   0.058  1.00  0.00           C  
HETATM   23  O8  UNL     1      -1.106   1.502  -0.035  1.00  0.00           O  
HETATM   24  C16 UNL     1      -2.288   2.203   0.139  1.00  0.00           C  
HETATM   25  C17 UNL     1      -3.532   1.568   0.141  1.00  0.00           C  
HETATM   26  C18 UNL     1      -4.718   2.232   0.310  1.00  0.00           C  
HETATM   27  O9  UNL     1      -5.931   1.611   0.312  1.00  0.00           O  
HETATM   28  C19 UNL     1      -6.130   0.262   0.138  1.00  0.00           C  
HETATM   29  O10 UNL     1      -6.692  -0.258   1.314  1.00  0.00           O  
HETATM   30  C20 UNL     1      -6.581  -1.645   1.350  1.00  0.00           C  
HETATM   31  C21 UNL     1      -7.686  -2.223   2.223  1.00  0.00           C  
HETATM   32  O11 UNL     1      -8.928  -1.889   1.721  1.00  0.00           O  
HETATM   33  C22 UNL     1      -6.504  -2.275  -0.000  1.00  0.00           C  
HETATM   34  O12 UNL     1      -7.049  -3.573   0.115  1.00  0.00           O  
HETATM   35  C23 UNL     1      -7.263  -1.540  -1.058  1.00  0.00           C  
HETATM   36  O13 UNL     1      -8.588  -1.975  -1.133  1.00  0.00           O  
HETATM   37  C24 UNL     1      -7.178  -0.041  -0.945  1.00  0.00           C  
HETATM   38  O14 UNL     1      -6.860   0.579  -2.151  1.00  0.00           O  
HETATM   39  C25 UNL     1      -4.696   3.616   0.492  1.00  0.00           C  
HETATM   40  C26 UNL     1      -3.490   4.266   0.495  1.00  0.00           C  
HETATM   41  C27 UNL     1      -2.296   3.572   0.321  1.00  0.00           C  
HETATM   42  H1  UNL     1       0.383   3.121   1.494  1.00  0.00           H  
HETATM   43  H2  UNL     1       1.105   4.023   0.146  1.00  0.00           H  
HETATM   44  H3  UNL     1      -0.203   2.588  -1.477  1.00  0.00           H  
HETATM   45  H4  UNL     1       0.267  -0.194  -1.617  1.00  0.00           H  
HETATM   46  H5  UNL     1       2.274  -1.646  -1.738  1.00  0.00           H  
HETATM   47  H6  UNL     1       5.964  -0.041   0.320  1.00  0.00           H  
HETATM   48  H7  UNL     1       7.866   0.568  -0.622  1.00  0.00           H  
HETATM   49  H8  UNL     1       8.660   0.040  -2.819  1.00  0.00           H  
HETATM   50  H9  UNL     1       9.205  -1.641  -2.257  1.00  0.00           H  
HETATM   51  H10 UNL     1      10.152   0.322  -0.685  1.00  0.00           H  
HETATM   52  H11 UNL     1       9.528  -1.609   0.175  1.00  0.00           H  
HETATM   53  H12 UNL     1       8.390  -0.634   2.316  1.00  0.00           H  
HETATM   54  H13 UNL     1       8.020  -3.308   0.369  1.00  0.00           H  
HETATM   55  H14 UNL     1       8.853  -2.705   2.390  1.00  0.00           H  
HETATM   56  H15 UNL     1       5.812  -3.071   0.032  1.00  0.00           H  
HETATM   57  H16 UNL     1       5.324  -3.111   2.104  1.00  0.00           H  
HETATM   58  H17 UNL     1       4.460   1.273   0.474  1.00  0.00           H  
HETATM   59  H18 UNL     1       2.513   2.688   0.597  1.00  0.00           H  
HETATM   60  H19 UNL     1      -3.482   0.486  -0.005  1.00  0.00           H  
HETATM   61  H20 UNL     1      -5.258  -0.369  -0.073  1.00  0.00           H  
HETATM   62  H21 UNL     1      -5.625  -1.878   1.895  1.00  0.00           H  
HETATM   63  H22 UNL     1      -7.516  -3.326   2.244  1.00  0.00           H  
HETATM   64  H23 UNL     1      -7.534  -1.795   3.236  1.00  0.00           H  
HETATM   65  H24 UNL     1      -9.375  -1.167   2.207  1.00  0.00           H  
HETATM   66  H25 UNL     1      -5.429  -2.412  -0.281  1.00  0.00           H  
HETATM   67  H26 UNL     1      -7.611  -3.807  -0.651  1.00  0.00           H  
HETATM   68  H27 UNL     1      -6.799  -1.813  -2.050  1.00  0.00           H  
HETATM   69  H28 UNL     1      -9.150  -1.179  -1.372  1.00  0.00           H  
HETATM   70  H29 UNL     1      -8.158   0.330  -0.546  1.00  0.00           H  
HETATM   71  H30 UNL     1      -7.602   1.217  -2.364  1.00  0.00           H  
HETATM   72  H31 UNL     1      -5.634   4.170   0.631  1.00  0.00           H  
HETATM   73  H32 UNL     1      -3.468   5.338   0.634  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   41
CONECT    3    4   42   43
CONECT    4    5   23   44
CONECT    5    6    6   22
CONECT    6    7   45
CONECT    7    8    8   46
CONECT    8    9   21
CONECT    9   10
CONECT   10   11   19   47
CONECT   11   12
CONECT   12   13   15   48
CONECT   13   14   49   50
CONECT   14   51
CONECT   15   16   17   52
CONECT   16   53
CONECT   17   18   19   54
CONECT   18   55
CONECT   19   20   56
CONECT   20   57
CONECT   21   22   22   58
CONECT   22   59
CONECT   23   24
CONECT   24   25   25   41
CONECT   25   26   60
CONECT   26   27   39   39
CONECT   27   28
CONECT   28   29   37   61
CONECT   29   30
CONECT   30   31   33   62
CONECT   31   32   63   64
CONECT   32   65
CONECT   33   34   35   66
CONECT   34   67
CONECT   35   36   37   68
CONECT   36   69
CONECT   37   38   70
CONECT   38   71
CONECT   39   40   72
CONECT   40   41   41   73
END
Download

SMILES for HMDB0039508 (Glucoliquiritin)

OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O
Download

INCHI for HMDB0039508 (Glucoliquiritin)

InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Liquiritigenin 4',7-diglucosideHMDB
Liquiritigenin 7,4'-diglucosideHMDB
Chemical FormulaC27H32O14
Average Molecular Weight580.5346
Monoisotopic Molecular Weight580.179205732
IUPAC Name7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Name7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-2,3-dihydro-1-benzopyran-4-one
CAS Registry Number93446-18-5
SMILES
OCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O
InChI Identifier
InChI=1S/C27H32O14/c28-9-18-20(31)22(33)24(35)26(40-18)37-12-3-1-11(2-4-12)16-8-15(30)14-6-5-13(7-17(14)39-16)38-27-25(36)23(34)21(32)19(10-29)41-27/h1-7,16,18-29,31-36H,8-10H2
InChI KeyUCUBMAVPVJYHIR-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-7-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-7-o-glycoside
  • Flavanone
  • Flavan
  • Phenolic glycoside
  • Chromone
  • Glycosyl compound
  • O-glycosyl compound
  • Chromane
  • Benzopyran
  • 1-benzopyran
  • Phenoxy compound
  • Aryl alkyl ketone
  • Aryl ketone
  • Phenol ether
  • Alkyl aryl ether
  • Monocyclic benzene moiety
  • Benzenoid
  • Monosaccharide
  • Oxane
  • Ketone
  • Secondary alcohol
  • Organoheterocyclic compound
  • Ether
  • Oxacycle
  • Acetal
  • Polyol
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Primary alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.03 g/LALOGPS
logP-0.6ALOGPS
logP-2ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)11.9ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area225.06 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity133.6 m³·mol⁻¹ChemAxon
Polarizability57.52 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+234.37131661259
DarkChem[M-H]-230.81731661259
DeepCCS[M+H]+224.6330932474
DeepCCS[M-H]-222.23430932474
DeepCCS[M-2H]-255.11930932474
DeepCCS[M+Na]+230.54230932474
AllCCS[M+H]+228.832859911
AllCCS[M+H-H2O]+227.632859911
AllCCS[M+NH4]+230.032859911
AllCCS[M+Na]+230.332859911
AllCCS[M-H]-221.132859911
AllCCS[M+Na-2H]-223.332859911
AllCCS[M+HCOO]-225.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlucoliquiritinOCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O5067.8Standard polar33892256
GlucoliquiritinOCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O5024.9Standard non polar33892256
GlucoliquiritinOCC1OC(OC2=CC=C(C=C2)C2CC(=O)C3=C(O2)C=C(OC2OC(CO)C(O)C(O)C2O)C=C3)C(O)C(O)C1O5540.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glucoliquiritin,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O5216.5Semi standard non polar33892256
Glucoliquiritin,1TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O5224.0Semi standard non polar33892256
Glucoliquiritin,1TMS,isomer #3C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C1O5203.9Semi standard non polar33892256
Glucoliquiritin,1TMS,isomer #4C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C1O5206.7Semi standard non polar33892256
Glucoliquiritin,1TMS,isomer #5C[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)OC(CO)C(O)C1O5219.8Semi standard non polar33892256
Glucoliquiritin,1TMS,isomer #6C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)OC(CO)C(O)C1O5208.2Semi standard non polar33892256
Glucoliquiritin,1TMS,isomer #7C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C1O5198.5Semi standard non polar33892256
Glucoliquiritin,1TMS,isomer #8C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C1O5197.6Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O5136.1Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5118.2Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O5145.1Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O5124.6Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C5125.4Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #14C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C1O5077.5Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #15C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C1O5066.3Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #16C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C1O5093.8Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #17C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O5110.6Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #18C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C1O[Si](C)(C)C5102.2Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #19C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C1O5058.6Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O5095.7Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #20C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C1O5040.1Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #21C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)OC(CO)C(O)C1O5065.5Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #22C[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C5130.8Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #23C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C1O5088.6Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #24C[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)OC(CO)C(O)C1O5077.3Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #25C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)OC(CO)C(O)C1O5102.5Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #26C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C1O5100.8Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #27C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)OC(CO)C(O)C1O[Si](C)(C)C5120.0Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #28C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C1O[Si](C)(C)C5092.9Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O)C1O5090.1Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O5110.7Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O5134.2Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O5114.1Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C5119.2Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O5104.4Semi standard non polar33892256
Glucoliquiritin,2TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O)C1O5098.2Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O4993.9Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4970.0Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C4987.5Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O5015.8Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O4988.7Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4942.5Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C4969.6Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O5038.1Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4985.0Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C5013.6Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5038.0Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O)C1O4979.1Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5048.5Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5008.2Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #22C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O)C1O4979.5Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #23C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5004.4Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #24C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O5024.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #25C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4985.8Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #26C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C4998.4Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #27C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5025.7Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #28C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O5000.1Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #29C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4954.7Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O5020.1Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #30C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C4977.8Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #31C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O5049.4Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #32C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4998.4Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #33C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C5022.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #34C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5051.0Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #35C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5062.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #36C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5021.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #37C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C1O4980.2Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #38C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C1O5001.2Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #39C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C1O5011.2Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5027.8Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #40C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C1O4986.7Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #41C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C1O5028.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #42C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O4985.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #43C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C1O4950.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #44C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O5033.6Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #45C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)OC(CO)C(O)C1O4995.9Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #46C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C5058.9Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #47C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C1O5018.9Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #48C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C1O4974.7Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #49C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C1O4961.2Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O)C1O4988.7Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #50C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C1O4989.0Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #51C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C1O4999.6Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #52C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)OC(CO)C(O)C1O5038.8Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #53C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C1O5022.9Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #54C[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)OC(CO)C(O)C1O5005.2Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #55C[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)OC(CO)C(O)C1O5051.0Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #56C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C5048.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O5005.5Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O)C1O4970.9Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O4994.3Semi standard non polar33892256
Glucoliquiritin,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O5010.6Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O)C1O4866.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O4912.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O4864.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O4905.2Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O4924.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O4898.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O)C1O4875.8Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O4884.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O4871.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4824.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C4858.4Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O4918.8Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O4895.6Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4842.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #22C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C4879.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #23C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4902.9Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #24C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4920.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #25C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4877.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #26C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O4898.5Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #27C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4846.8Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #28C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C4882.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #29C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4863.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O4885.6Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #30C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4876.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #31C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4835.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #32C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4914.5Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #33C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4937.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #34C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4886.4Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #35C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4964.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #36C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O4892.3Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #37C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O4882.4Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #38C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4833.6Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #39C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C4865.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4837.8Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #40C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O4906.4Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #41C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4852.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #42C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C4885.5Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #43C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4916.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #44C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4934.9Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #45C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4889.6Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #46C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O4910.4Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #47C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4856.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #48C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C4889.4Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #49C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4873.3Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C4866.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #50C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4887.9Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #51C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4843.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #52C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4924.9Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #53C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4950.6Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #54C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4894.9Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #55C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4977.4Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #56C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C1O4905.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #57C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C1O4867.7Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #58C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C1O[Si](C)(C)C4852.3Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #59C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C1O4888.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O4891.5Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #60C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O4877.9Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #61C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C1O4913.3Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #62C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O[Si](C)(C)C)C1O4905.8Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #63C[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C(O)C1O[Si](C)(C)C4884.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #64C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C1O4876.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #65C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)OC(CO)C(O)C1O4915.5Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #66C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O[Si](C)(C)C)C1O4895.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #67C[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)C(O)C1O[Si](C)(C)C4876.2Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #68C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)C1O4886.0Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #69C[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4O3)C=C2)OC(CO)C(O)C1O[Si](C)(C)C4907.2Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C)C(O)C1O4852.5Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #70C[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C5O[Si](C)(C)C)C=C4)OC3=C2)OC(CO)C(O)C1O4926.3Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C)C1O4804.1Semi standard non polar33892256
Glucoliquiritin,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O4849.4Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O5430.7Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O5437.3Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C1O5448.4Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C1O5460.1Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)OC(CO)C(O)C1O5466.8Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)OC(CO)C(O)C1O5454.0Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C1O5451.7Semi standard non polar33892256
Glucoliquiritin,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C1O5442.5Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O5520.2Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C(O)C1O5532.9Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5559.1Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5558.8Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5538.8Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C1O5520.9Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4)OC3=C2)C(O)C1O5536.6Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4)OC3=C2)C(O)C1O5534.3Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C1O5564.0Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)C(O)C1O[Si](C)(C)C(C)(C)C5557.7Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2)C(O)C1O5527.5Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O5518.0Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2)C1O5514.6Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2)OC(CO)C(O)C1O5519.2Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4)OC3=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C5586.1Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(O)C1O5527.1Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4)OC3=C2)OC(CO)C(O)C1O5534.1Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)OC(CO)C(O)C1O5530.5Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C(C)(C)C)C1O5548.4Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C5569.7Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C1O[Si](C)(C)C(C)(C)C5542.7Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4O3)C=C2)C(O)C(O)C1O5522.8Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O[Si](C)(C)C(C)(C)C)C=C4O3)C=C2)C(O)C(O)C1O5524.4Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5544.1Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5545.1Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C(C3CC(=O)C4=CC=C(OC5OC(CO)C(O)C(O)C5O)C=C4O3)C=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5528.7Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C5O)C=C4)OC3=C2)C(O)C(O)C1O5529.5Semi standard non polar33892256
Glucoliquiritin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=C3C(=O)CC(C4=CC=C(OC5OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C5O)C=C4)OC3=C2)C(O)C(O)C1O5533.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (Non-derivatized) - 70eV, Positivesplash10-03xr-2400590000-47358e3ce998b98bb4992017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS ("Glucoliquiritin,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glucoliquiritin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 10V, Positive-QTOFsplash10-0wmi-0130940000-9c6e1ada6a47afccf9592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 20V, Positive-QTOFsplash10-0pb9-0290600000-f8a66cb58c20a4cb84e72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 40V, Positive-QTOFsplash10-0a4i-0690300000-03011ffc9950fdf4e7ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 10V, Negative-QTOFsplash10-00os-0223790000-5d393af871fb3c15a4222016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 20V, Negative-QTOFsplash10-014j-1358940000-130d5af59a4a774020962016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 40V, Negative-QTOFsplash10-1001-2191200000-02c0d883b7571298c7c92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 10V, Negative-QTOFsplash10-004i-0000390000-75349df79f9eed24f7b02021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 20V, Negative-QTOFsplash10-016r-0100970000-2cee5f68435b02583aa32021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 40V, Negative-QTOFsplash10-014r-0720920000-584a228ff40186ecf0d02021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 10V, Positive-QTOFsplash10-0159-0000950000-86aca2f45b20a7a438422021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 20V, Positive-QTOFsplash10-014i-0000900000-3d76f028d25df19ed6242021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glucoliquiritin 40V, Positive-QTOFsplash10-014r-0800900000-433156ffdfec880df3612021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB019117
KNApSAcK IDC00020640
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound73981649
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .