Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 19:14:38 UTC

Update Date

2022-03-07 02:54:05 UTC

HMDB ID

HMDB0034404

Secondary Accession Numbers

HMDB34404

Metabolite Identification

Common Name

1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside

Description

1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone. 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside has been detected, but not quantified in, green vegetables. This could make 1,8-dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061307472D          

 42 46  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
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    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
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    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
    3.5724    1.2375    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
    4.2868    2.4750    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
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    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
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  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  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30  8  1  0  0  0  0
 31 18  2  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  2  0  0  0  0
 35 22  1  0  0  0  0
 36 23  1  0  0  0  0
 37 24  1  0  0  0  0
 38 25  1  0  0  0  0
 39 12  1  0  0  0  0
 39 26  1  0  0  0  0
 40 13  1  0  0  0  0
 40 27  1  0  0  0  0
 41 14  1  0  0  0  0
 41 26  1  0  0  0  0
 42 15  1  0  0  0  0
 42 27  1  0  0  0  0
M  END

HMDB0034404
     RDKit          3D
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    0.7064    5.3338    1.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    4.1488    1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996    3.3527    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454    3.9016    1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849    3.1588    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    1.8516    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    1.2877    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715   -0.0055    0.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5787   -0.9109   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230   -1.4559   -1.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7046   -2.0556   -1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5155   -1.0692   -2.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7391   -1.6163   -2.9938 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407   -2.5024   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3056   -3.6166   -1.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7859   -2.8854    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116   -4.2695    0.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -2.1428    0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307   -2.9190    0.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    2.0477    0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    1.4854    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153    0.2913    0.1375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    2.2824    0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    1.7296    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008    0.4337    0.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688   -0.4123   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989   -1.4711    0.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -2.2404    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973   -1.6923    1.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5392   -2.4835    1.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9014   -2.4457   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4897   -3.6871   -0.7766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730   -2.3445   -1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3457   -2.5926   -2.8818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2511   -0.9253   -1.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1580   -0.1463   -2.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982    2.4937    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    3.8216    1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3893    4.6422    1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    5.9085    1.7738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088    4.3457    1.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638    3.5930    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060    4.9275    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1952    3.5691    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    1.2743    0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6179   -0.5625   -0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -2.9386   -2.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7055   -0.1241   -2.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840   -0.8078   -3.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4175   -1.3751   -2.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2957   -1.6980   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4430   -4.2173   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4277   -2.5935    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6802   -4.5420    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450   -1.7350    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2051   -2.7453   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2171    0.1320    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -3.2449    1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0382   -1.6602    2.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6824   -0.6488    1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1711   -2.2628    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6349   -1.6620   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8452   -4.3467   -1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -3.0442   -1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2918   -2.3685   -2.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -0.9166   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    0.6788   -2.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2594    2.0397    0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9803    4.1244    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859    4.7379    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6803    6.4235    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    5.3669    1.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 24 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 38 41  1  0
 41 42  2  0
 42  2  1  0
 20  3  1  0
 42 23  1  0
 18  9  1  0
 35 26  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 12 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
 26 57  1  0
 28 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
 36 67  1  0
 37 68  1  0
 39 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
M  END


  Mrv0541 05061307472D          

 42 46  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
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    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
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    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
    3.5724    1.2375    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
    4.2868    2.4750    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
    6.4302    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    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
    6.4302    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11  4  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  7  1  0  0  0  0
 15  8  1  0  0  0  0
 16 10  2  0  0  0  0
 16 12  1  0  0  0  0
 17 11  2  0  0  0  0
 17 13  1  0  0  0  0
 18 10  1  0  0  0  0
 18 11  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 21 17  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  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  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30  8  1  0  0  0  0
 31 18  2  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 34 21  2  0  0  0  0
 35 22  1  0  0  0  0
 36 23  1  0  0  0  0
 37 24  1  0  0  0  0
 38 25  1  0  0  0  0
 39 12  1  0  0  0  0
 39 26  1  0  0  0  0
 40 13  1  0  0  0  0
 40 27  1  0  0  0  0
 41 14  1  0  0  0  0
 41 26  1  0  0  0  0
 42 15  1  0  0  0  0
 42 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034404

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O15/c28-6-9-4-11-17(13(5-9)40-27-25(38)23(36)20(33)15(8-30)42-27)21(34)16-10(18(11)31)2-1-3-12(16)39-26-24(37)22(35)19(32)14(7-29)41-26/h1-5,14-15,19-20,22-30,32-33,35-38H,6-8H2

> <INCHI_KEY>
QMABOQTWWJKODW-UHFFFAOYSA-N

> <FORMULA>
C27H30O15

> <MOLECULAR_WEIGHT>
594.5181

> <EXACT_MASS>
594.15847029

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
57.24372734993253

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(hydroxymethyl)-1,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9,10-dihydroanthracene-9,10-dione

> <ALOGPS_LOGP>
-1.02

> <JCHEM_LOGP>
-2.9919105226666662

> <ALOGPS_LOGS>
-1.98

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.421284563367767

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.899080190602692

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810923462446413

> <JCHEM_POLAR_SURFACE_AREA>
253.1299999999999

> <JCHEM_REFRACTIVITY>
136.21749999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(hydroxymethyl)-1,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})anthracene-9,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0034404
     RDKit          3D
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    0.7064    5.3338    1.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    4.1488    1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996    3.3527    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454    3.9016    1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849    3.1588    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    1.8516    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    1.2877    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715   -0.0055    0.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5787   -0.9109   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230   -1.4559   -1.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7046   -2.0556   -1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5155   -1.0692   -2.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7391   -1.6163   -2.9938 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407   -2.5024   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3056   -3.6166   -1.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7859   -2.8854    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116   -4.2695    0.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -2.1428    0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307   -2.9190    0.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    2.0477    0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    1.4854    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153    0.2913    0.1375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    2.2824    0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    1.7296    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008    0.4337    0.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688   -0.4123   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989   -1.4711    0.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -2.2404    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973   -1.6923    1.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5392   -2.4835    1.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9014   -2.4457   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4897   -3.6871   -0.7766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730   -2.3445   -1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3457   -2.5926   -2.8818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2511   -0.9253   -1.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1580   -0.1463   -2.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982    2.4937    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    3.8216    1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3893    4.6422    1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    5.9085    1.7738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088    4.3457    1.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638    3.5930    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060    4.9275    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1952    3.5691    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    1.2743    0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6179   -0.5625   -0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -2.9386   -2.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7055   -0.1241   -2.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840   -0.8078   -3.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4175   -1.3751   -2.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2957   -1.6980   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4430   -4.2173   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4277   -2.5935    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6802   -4.5420    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450   -1.7350    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2051   -2.7453   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2171    0.1320    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -3.2449    1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0382   -1.6602    2.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6824   -0.6488    1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1711   -2.2628    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6349   -1.6620   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8452   -4.3467   -1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -3.0442   -1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2918   -2.3685   -2.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -0.9166   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    0.6788   -2.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2594    2.0397    0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9803    4.1244    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859    4.7379    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6803    6.4235    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    5.3669    1.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 24 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 38 41  1  0
 41 42  2  0
 42  2  1  0
 20  3  1  0
 42 23  1  0
 18  9  1  0
 35 26  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 12 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
 26 57  1  0
 28 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
 36 67  1  0
 37 68  1  0
 39 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
M  END

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       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337   6.160   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.003   6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.669   9.240   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      14.671   6.930   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      13.337   9.240   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -2.667   9.240   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      10.669  10.780   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -2.667   6.160   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.002   9.240   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       0.000   4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667   6.160   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      10.669   6.160   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1   10                                                       
CONECT    3    1   12                                                       
CONECT    4    9   11                                                       
CONECT    5    9   13                                                       
CONECT    6    9   28                                                       
CONECT    7   14   29                                                       
CONECT    8   15   30                                                       
CONECT    9    4    5    6                                                  
CONECT   10    2   16   18                                                  
CONECT   11    4   17   18                                                  
CONECT   12    3   16   39                                                  
CONECT   13    5   17   40                                                  
CONECT   14    7   19   41                                                  
CONECT   15    8   20   42                                                  
CONECT   16   10   12   21                                                  
CONECT   17   11   13   21                                                  
CONECT   18   10   11   31                                                  
CONECT   19   14   22   32                                                  
CONECT   20   15   23   33                                                  
CONECT   21   16   17   34                                                  
CONECT   22   19   24   35                                                  
CONECT   23   20   25   36                                                  
CONECT   24   22   26   37                                                  
CONECT   25   23   27   38                                                  
CONECT   26   24   39   41                                                  
CONECT   27   25   40   42                                                  
CONECT   28    6                                                            
CONECT   29    7                                                            
CONECT   30    8                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   22                                                            
CONECT   36   23                                                            
CONECT   37   24                                                            
CONECT   38   25                                                            
CONECT   39   12   26                                                       
CONECT   40   13   27                                                       
CONECT   41   14   26                                                       
CONECT   42   15   27                                                       
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

COMPND    HMDB0034404
HETATM    1  O1  UNL     1       0.706   5.334   1.676  1.00  0.00           O  
HETATM    2  C1  UNL     1       0.570   4.149   1.314  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.800   3.353   1.100  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.045   3.902   1.294  1.00  0.00           C  
HETATM    5  C4  UNL     1       4.185   3.159   1.094  1.00  0.00           C  
HETATM    6  C5  UNL     1       4.035   1.852   0.695  1.00  0.00           C  
HETATM    7  C6  UNL     1       2.807   1.288   0.497  1.00  0.00           C  
HETATM    8  O2  UNL     1       2.571  -0.006   0.100  1.00  0.00           O  
HETATM    9  C7  UNL     1       3.579  -0.911  -0.152  1.00  0.00           C  
HETATM   10  O3  UNL     1       3.523  -1.456  -1.441  1.00  0.00           O  
HETATM   11  C8  UNL     1       4.705  -2.056  -1.779  1.00  0.00           C  
HETATM   12  C9  UNL     1       5.516  -1.069  -2.612  1.00  0.00           C  
HETATM   13  O4  UNL     1       6.739  -1.616  -2.994  1.00  0.00           O  
HETATM   14  C10 UNL     1       5.541  -2.502  -0.635  1.00  0.00           C  
HETATM   15  O5  UNL     1       6.306  -3.617  -1.027  1.00  0.00           O  
HETATM   16  C11 UNL     1       4.786  -2.885   0.591  1.00  0.00           C  
HETATM   17  O6  UNL     1       4.612  -4.269   0.722  1.00  0.00           O  
HETATM   18  C12 UNL     1       3.486  -2.143   0.770  1.00  0.00           C  
HETATM   19  O7  UNL     1       2.431  -2.919   0.326  1.00  0.00           O  
HETATM   20  C13 UNL     1       1.633   2.048   0.701  1.00  0.00           C  
HETATM   21  C14 UNL     1       0.307   1.485   0.501  1.00  0.00           C  
HETATM   22  O8  UNL     1       0.215   0.291   0.138  1.00  0.00           O  
HETATM   23  C15 UNL     1      -0.892   2.282   0.716  1.00  0.00           C  
HETATM   24  C16 UNL     1      -2.173   1.730   0.521  1.00  0.00           C  
HETATM   25  O9  UNL     1      -2.201   0.434   0.128  1.00  0.00           O  
HETATM   26  C17 UNL     1      -3.269  -0.412  -0.149  1.00  0.00           C  
HETATM   27  O10 UNL     1      -3.199  -1.471   0.762  1.00  0.00           O  
HETATM   28  C18 UNL     1      -4.336  -2.240   0.773  1.00  0.00           C  
HETATM   29  C19 UNL     1      -5.397  -1.692   1.712  1.00  0.00           C  
HETATM   30  O11 UNL     1      -6.539  -2.483   1.708  1.00  0.00           O  
HETATM   31  C20 UNL     1      -4.901  -2.446  -0.616  1.00  0.00           C  
HETATM   32  O12 UNL     1      -5.490  -3.687  -0.777  1.00  0.00           O  
HETATM   33  C21 UNL     1      -3.773  -2.344  -1.638  1.00  0.00           C  
HETATM   34  O13 UNL     1      -4.346  -2.593  -2.882  1.00  0.00           O  
HETATM   35  C22 UNL     1      -3.251  -0.925  -1.579  1.00  0.00           C  
HETATM   36  O14 UNL     1      -4.158  -0.146  -2.334  1.00  0.00           O  
HETATM   37  C23 UNL     1      -3.298   2.494   0.728  1.00  0.00           C  
HETATM   38  C24 UNL     1      -3.171   3.822   1.133  1.00  0.00           C  
HETATM   39  C25 UNL     1      -4.389   4.642   1.354  1.00  0.00           C  
HETATM   40  O15 UNL     1      -3.989   5.909   1.774  1.00  0.00           O  
HETATM   41  C26 UNL     1      -1.909   4.346   1.320  1.00  0.00           C  
HETATM   42  C27 UNL     1      -0.764   3.593   1.116  1.00  0.00           C  
HETATM   43  H1  UNL     1       3.106   4.928   1.607  1.00  0.00           H  
HETATM   44  H2  UNL     1       5.195   3.569   1.241  1.00  0.00           H  
HETATM   45  H3  UNL     1       4.924   1.274   0.540  1.00  0.00           H  
HETATM   46  H4  UNL     1       4.618  -0.562  -0.031  1.00  0.00           H  
HETATM   47  H5  UNL     1       4.541  -2.939  -2.447  1.00  0.00           H  
HETATM   48  H6  UNL     1       5.706  -0.124  -2.076  1.00  0.00           H  
HETATM   49  H7  UNL     1       4.984  -0.808  -3.550  1.00  0.00           H  
HETATM   50  H8  UNL     1       7.417  -1.375  -2.330  1.00  0.00           H  
HETATM   51  H9  UNL     1       6.296  -1.698  -0.409  1.00  0.00           H  
HETATM   52  H10 UNL     1       6.443  -4.217  -0.247  1.00  0.00           H  
HETATM   53  H11 UNL     1       5.428  -2.593   1.474  1.00  0.00           H  
HETATM   54  H12 UNL     1       4.680  -4.542   1.690  1.00  0.00           H  
HETATM   55  H13 UNL     1       3.345  -1.735   1.788  1.00  0.00           H  
HETATM   56  H14 UNL     1       2.205  -2.745  -0.625  1.00  0.00           H  
HETATM   57  H15 UNL     1      -4.217   0.132   0.012  1.00  0.00           H  
HETATM   58  H16 UNL     1      -4.058  -3.245   1.158  1.00  0.00           H  
HETATM   59  H17 UNL     1      -5.038  -1.660   2.757  1.00  0.00           H  
HETATM   60  H18 UNL     1      -5.682  -0.649   1.442  1.00  0.00           H  
HETATM   61  H19 UNL     1      -7.171  -2.263   0.982  1.00  0.00           H  
HETATM   62  H20 UNL     1      -5.635  -1.662  -0.887  1.00  0.00           H  
HETATM   63  H21 UNL     1      -4.845  -4.347  -1.123  1.00  0.00           H  
HETATM   64  H22 UNL     1      -2.944  -3.044  -1.408  1.00  0.00           H  
HETATM   65  H23 UNL     1      -5.292  -2.368  -2.934  1.00  0.00           H  
HETATM   66  H24 UNL     1      -2.249  -0.917  -2.027  1.00  0.00           H  
HETATM   67  H25 UNL     1      -3.747   0.679  -2.665  1.00  0.00           H  
HETATM   68  H26 UNL     1      -4.259   2.040   0.569  1.00  0.00           H  
HETATM   69  H27 UNL     1      -4.980   4.124   2.151  1.00  0.00           H  
HETATM   70  H28 UNL     1      -4.986   4.738   0.425  1.00  0.00           H  
HETATM   71  H29 UNL     1      -3.680   6.423   0.998  1.00  0.00           H  
HETATM   72  H30 UNL     1      -1.756   5.367   1.632  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   42
CONECT    3    4    4   20
CONECT    4    5   43
CONECT    5    6    6   44
CONECT    6    7   45
CONECT    7    8   20   20
CONECT    8    9
CONECT    9   10   18   46
CONECT   10   11
CONECT   11   12   14   47
CONECT   12   13   48   49
CONECT   13   50
CONECT   14   15   16   51
CONECT   15   52
CONECT   16   17   18   53
CONECT   17   54
CONECT   18   19   55
CONECT   19   56
CONECT   20   21
CONECT   21   22   22   23
CONECT   23   24   24   42
CONECT   24   25   37
CONECT   25   26
CONECT   26   27   35   57
CONECT   27   28
CONECT   28   29   31   58
CONECT   29   30   59   60
CONECT   30   61
CONECT   31   32   33   62
CONECT   32   63
CONECT   33   34   35   64
CONECT   34   65
CONECT   35   36   66
CONECT   36   67
CONECT   37   38   38   68
CONECT   38   39   41
CONECT   39   40   69   70
CONECT   40   71
CONECT   41   42   42   72
END

HMDB0034404
     RDKit          3D
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside
 72 76  0  0  0  0  0  0  0  0999 V2000
    0.7064    5.3338    1.6765 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5702    4.1488    1.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996    3.3527    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454    3.9016    1.2943 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1849    3.1588    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0351    1.8516    0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8067    1.2877    0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5715   -0.0055    0.0999 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5787   -0.9109   -0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5230   -1.4559   -1.4412 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7046   -2.0556   -1.7787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5155   -1.0692   -2.6124 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7391   -1.6163   -2.9938 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5407   -2.5024   -0.6346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3056   -3.6166   -1.0266 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7859   -2.8854    0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6116   -4.2695    0.7216 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4861   -2.1428    0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307   -2.9190    0.3263 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6333    2.0477    0.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3070    1.4854    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2153    0.2913    0.1375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    2.2824    0.7164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730    1.7296    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2008    0.4337    0.1276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2688   -0.4123   -0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1989   -1.4711    0.7624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3361   -2.2404    0.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3973   -1.6923    1.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5392   -2.4835    1.7083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9014   -2.4457   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4897   -3.6871   -0.7766 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730   -2.3445   -1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3457   -2.5926   -2.8818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2511   -0.9253   -1.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1580   -0.1463   -2.3341 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2982    2.4937    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1708    3.8216    1.1330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3893    4.6422    1.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887    5.9085    1.7738 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9088    4.3457    1.3195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638    3.5930    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1060    4.9275    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1952    3.5691    1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9243    1.2743    0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6179   -0.5625   -0.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5414   -2.9386   -2.4473 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7055   -0.1241   -2.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9840   -0.8078   -3.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4175   -1.3751   -2.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2957   -1.6980   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4430   -4.2173   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4277   -2.5935    1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6802   -4.5420    1.6895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3450   -1.7350    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2051   -2.7453   -0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2171    0.1320    0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0580   -3.2449    1.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0382   -1.6602    2.7569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6824   -0.6488    1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1711   -2.2628    0.9818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6349   -1.6620   -0.8872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8452   -4.3467   -1.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9440   -3.0442   -1.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2918   -2.3685   -2.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2492   -0.9166   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    0.6788   -2.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2594    2.0397    0.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9803    4.1244    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9859    4.7379    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6803    6.4235    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    5.3669    1.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
  7 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 24 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 38 41  1  0
 41 42  2  0
 42  2  1  0
 20  3  1  0
 42 23  1  0
 18  9  1  0
 35 26  1  0
  4 43  1  0
  5 44  1  0
  6 45  1  0
  9 46  1  0
 11 47  1  0
 12 48  1  0
 12 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
 26 57  1  0
 28 58  1  0
 29 59  1  0
 29 60  1  0
 30 61  1  0
 31 62  1  0
 32 63  1  0
 33 64  1  0
 34 65  1  0
 35 66  1  0
 36 67  1  0
 37 68  1  0
 39 69  1  0
 39 70  1  0
 40 71  1  0
 41 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₅

Average Molecular Weight

594.5181

Monoisotopic Molecular Weight

594.15847029

IUPAC Name

3-(hydroxymethyl)-1,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-9,10-dihydroanthracene-9,10-dione

Traditional Name

3-(hydroxymethyl)-1,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})anthracene-9,10-dione

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O15/c28-6-9-4-11-17(13(5-9)40-27-25(38)23(36)20(33)15(8-30)42-27)21(34)16-10(18(11)31)2-1-3-12(16)39-26-24(37)22(35)19(32)14(7-29)41-26/h1-5,14-15,19-20,22-30,32-33,35-38H,6-8H2

InChI Key

QMABOQTWWJKODW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

9,10-anthraquinone
Anthraquinone
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Aryl ketone
Oxane
Monosaccharide
Secondary alcohol
Ketone
Polyol
Organoheterocyclic compound
Oxacycle
Acetal
Aromatic alcohol
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0034404)
Cytoplasm (HMDB: HMDB0034404)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0034404)

Source

Exogenous

Food

Food (HMDB: HMDB0034404)

Vegetable

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0034404)

Not Available

Nutrient (HMDB: HMDB0034404)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	229 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	6.22 g/L	ALOGPS
logP	-1	ALOGPS
logP	-3	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	11.9	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	253.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	136.22 m³·mol⁻¹	ChemAxon
Polarizability	57.24 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	234.52	31661259
DarkChem	[M-H]-	227.717	31661259
DeepCCS	[M+H]+	228.116	30932474
DeepCCS	[M-H]-	225.72	30932474
DeepCCS	[M-2H]-	258.714	30932474
DeepCCS	[M+Na]+	234.028	30932474
AllCCS	[M+H]+	228.3	32859911
AllCCS	[M+H-H2O]+	227.2	32859911
AllCCS	[M+NH4]+	229.4	32859911
AllCCS	[M+Na]+	229.7	32859911
AllCCS	[M-H]-	222.3	32859911
AllCCS	[M+Na-2H]-	224.0	32859911
AllCCS	[M+HCOO]-	226.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	4890.5	Standard polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	4795.9	Standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside	OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(C=C(CO)C=C2OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5565.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	5083.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #2	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	5107.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O	5082.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C1O	5096.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C1O	5068.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)OC(CO)C(O)C1O	5094.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	5097.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C1O	5067.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C1O	5095.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4923.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #10	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4961.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #11	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4924.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #12	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4962.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #13	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4960.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #14	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4924.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #15	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4963.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O	4950.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O)C1O	4911.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	4961.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4982.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4951.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4926.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4963.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #22	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C1O	4990.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C1O	4951.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C1O	4993.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #25	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C1O	4969.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C1O[Si](C)(C)C	4957.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C1O	4951.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #28	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C1O	4911.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #29	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	4954.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4911.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #30	C[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)OC(CO)C(O)C1O[Si](C)(C)C	4990.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #31	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C1O	4993.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #32	C[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)OC(CO)C(O)C1O	4954.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #33	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	5003.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #34	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C1O	4969.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #35	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O[Si](C)(C)C	4989.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C1O[Si](C)(C)C	4955.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4960.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #5	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4931.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4982.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4926.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4961.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TMS,isomer #9	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4932.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4782.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #10	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4795.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4855.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4804.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4835.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4816.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #15	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4745.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4806.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4759.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4789.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #19	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4793.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4756.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4854.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4802.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4832.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #23	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4801.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #24	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4771.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #25	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4824.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4848.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4861.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4816.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #29	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4802.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4802.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #30	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4772.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #31	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4824.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #32	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4796.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #33	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4746.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #34	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4796.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #35	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4800.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #36	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4818.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #37	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4838.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #38	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4783.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #39	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4840.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #4	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4755.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #40	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4827.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #41	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4783.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #42	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4733.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #43	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4788.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #44	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4837.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #45	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4784.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #46	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4836.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #47	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4800.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #48	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4820.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #49	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4830.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	4805.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O)C1O	4790.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	4804.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4853.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4804.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4835.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	4820.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4805.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4760.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4790.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4855.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O)C1O	4757.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4805.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4835.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4848.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4863.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4819.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #65	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C1O	4846.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C1O	4859.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #67	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C1O	4862.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #68	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C1O	4846.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #69	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C1O	4879.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O	4782.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C1O	4812.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #71	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C1O	4801.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #72	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O[Si](C)(C)C)C1O	4859.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #73	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	4844.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #74	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4891.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #75	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C1O	4875.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #76	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C1O	4814.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #77	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C1O	4801.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #78	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C1O	4825.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #79	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C1O	4829.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4789.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #80	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	4875.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #81	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C1O	4858.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #82	C[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)OC(CO)C(O)C1O	4841.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #83	C[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)OC(CO)C(O)C1O	4875.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #84	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4893.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4801.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4700.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4643.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4773.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #101	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4729.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4744.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4694.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4729.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4708.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4727.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #107	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4682.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4754.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4773.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4682.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #110	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4729.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #111	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4800.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #112	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C1O	4777.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #113	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C1O	4720.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #114	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C1O[Si](C)(C)C	4705.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #115	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C1O	4734.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #116	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C1O	4721.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #117	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C1O	4777.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #118	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O[Si](C)(C)C)C1O	4743.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #119	C[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C1O[Si](C)(C)C	4729.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #12	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4699.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #120	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C1O	4733.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #121	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	4774.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #122	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C1O	4743.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #123	C[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C1O[Si](C)(C)C	4729.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #124	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C1O	4733.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #125	C[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O[Si](C)(C)C	4753.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #126	C[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)OC(CO)C(O)C1O	4773.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4746.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4699.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4729.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #16	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4681.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #17	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4654.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #18	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4698.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	4741.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4741.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	4727.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O)C1O	4700.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4731.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #23	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4672.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4724.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4670.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4710.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #27	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4685.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4737.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4687.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #3	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4682.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4722.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #31	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4708.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #32	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4674.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #33	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4724.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4755.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4773.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4729.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #37	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4689.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4743.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4694.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4729.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4729.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #41	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4663.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #42	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4623.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #43	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4678.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4707.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4725.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4681.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #47	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4709.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #48	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4681.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #49	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4725.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4682.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4753.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4770.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4728.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #53	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4705.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #54	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4753.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #55	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4732.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4801.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #57	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4706.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #58	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4755.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #59	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4709.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4713.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #60	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4664.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #61	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4710.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #62	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4733.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #63	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4673.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #64	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4623.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #65	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4681.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #66	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4724.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #67	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4679.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #68	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4726.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #69	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4672.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	4726.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #70	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4685.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #71	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4689.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #72	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4741.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #73	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4698.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #74	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4644.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #75	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4700.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #76	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4716.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #77	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4666.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #78	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4718.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #79	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4698.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #8	C[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	4654.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #80	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4715.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #81	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4717.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #82	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	4717.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #83	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4664.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #84	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4719.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #85	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4644.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #86	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4666.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #87	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4664.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #88	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C3C(=O)C2=C1	4701.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #89	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4718.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4698.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #90	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4719.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #91	C[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C3C(=O)C2=C1	4741.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	4731.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4725.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4670.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4711.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O)C1O	4738.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #97	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C)C1O	4687.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #98	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C	4723.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,4TMS,isomer #99	C[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4756.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	5276.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	5298.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O	5276.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C1O	5342.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C1O	5319.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)OC(CO)C(O)C1O	5331.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	5335.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C1O	5318.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C1O	5341.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	5285.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	5367.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	5332.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	5352.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=CC=C3C(=O)C2=C1	5367.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=CC=C3C(=O)C2=C1	5331.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=CC=C3C(=O)C2=C1	5354.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O	5336.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=CC=C2C3=O)C(O)C(O)C1O	5305.4	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=CC=C2C3=O)C(O)C(O)C1O	5327.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5353.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	5335.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5332.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5333.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C1O	5391.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=CC=C2C3=O)C(O)C1O	5361.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=CC=C2C3=O)C(O)C1O	5379.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C1O	5366.0	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)C(O)C1O[Si](C)(C)C(C)(C)C	5356.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C1O	5361.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(CO)C=C2C3=O)C1O	5320.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	5345.5	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O	5305.1	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C2C3=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5383.6	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(CO)C=C2C3=O)C(O)C1O	5379.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(CO)=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=CC=C2C3=O)OC(CO)C(O)C1O	5344.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O	5374.2	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C1O	5366.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5384.7	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C1O[Si](C)(C)C(C)(C)C	5355.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(CO)C=C2C3=O)C(O)C(O)C1O	5324.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	5323.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5354.9	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5332.8	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC=CC3=C2C(=O)C2=C(OC4OC(CO)C(O)C(O)C4O)C=C(CO)C=C2C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5333.3	Semi standard non polar	33892256
1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1=CC(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=CC=C3C(=O)C2=C1	5323.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0in9-2300390000-1dfa4bfdfc3c09eb83ba	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (1 TMS) - 70eV, Positive	splash10-0f7t-5510119000-7871ad51dc78fde8687a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS ("1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 10V, Positive-QTOF	splash10-017i-0010950000-726c5c6e8a554b7b2cfd	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 20V, Positive-QTOF	splash10-014i-0170910000-e3bc66e22cdfa86b8148	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 40V, Positive-QTOF	splash10-014i-1290510000-f797704447a6af47beb5	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 10V, Negative-QTOF	splash10-01rx-0101980000-4fa298869e928e7ceb39	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 20V, Negative-QTOF	splash10-03e9-0111930000-d1005f63b0c84a386fba	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 40V, Negative-QTOF	splash10-02t9-4295400000-95e537aa5f17eb96bb55	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 10V, Positive-QTOF	splash10-014j-0010940000-f4064c8c15ae866825fb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 20V, Positive-QTOF	splash10-014i-0121950000-b260954c0ab73794172a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 40V, Positive-QTOF	splash10-060r-9710520000-10c0a7cf30315836926e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 10V, Negative-QTOF	splash10-0006-0210590000-0a14e58ff1947ad858f5	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 20V, Negative-QTOF	splash10-07cu-4110950000-7bfa23c9609214b59a0d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside 40V, Negative-QTOF	splash10-014i-5192610000-f31cb147acea053ef92e	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB012794

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

73157752

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for 1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside (HMDB0034404)

MOL for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

3D MOL for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

3D SDF for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

3D-SDF for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

PDB for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

3D PDB for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

SMILES for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

INCHI for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

Structure for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

3D Structure for HMDB0034404 (1,8-Dihydroxy-3-hydroxymethylanthraquinone 1,8-di-O-b-D-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra