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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:56:26 UTC

Update Date

2022-03-07 02:56:57 UTC

HMDB ID

HMDB0041268

Secondary Accession Numbers

HMDB41268

Metabolite Identification

Common Name

Cascaroside F

Description

Cascaroside F belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Based on a literature review very few articles have been published on Cascaroside F.

Structure

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


  Mrv0541 02241211422D          

 41 45  0  0  0  0            999 V2000
    1.0710    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -4.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -4.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294    2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    4.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 41  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 38  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END

HMDB0041268
     RDKit          3D
Cascaroside F
 73 77  0  0  0  0  0  0  0  0999 V2000
   -3.6802    5.3461    1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998    4.3360    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045    4.4358    1.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    3.4714    1.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415    3.5532    2.0647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    2.4166    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277    2.3162   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796    3.2905   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    1.1872   -1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278    0.4252   -0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079   -0.6039   -1.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539   -1.4038   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2665   -2.8612   -1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3776   -3.6155   -0.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.9806    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3932   -0.0287   -0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -0.5458    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4169   -1.4884    2.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -0.1189    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856    0.8550    1.5878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    0.3036   -1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673   -0.7266   -2.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748   -1.5967   -2.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0437   -2.6152   -3.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316   -1.4824   -1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339   -0.4790   -0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -0.2888   -0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453   -0.9768   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7153   -0.1494   -0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662   -0.9086   -0.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0012    0.0369   -0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -0.6714   -1.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2446   -1.7103    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   -3.0868    0.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -1.2860    1.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7178   -1.9993    2.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -1.5498    1.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528   -2.9147    1.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594    0.3946   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    1.4707    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169    1.5866    0.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4735    4.9528    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1066    5.5690    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991    6.2481    1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886    5.2670    2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794    4.3170    2.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026    3.2161   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    1.6263   -2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2095    1.0963   -0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3979   -1.3793   -2.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7870   -3.2539   -1.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090   -2.9889   -0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1765   -4.2125    0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9615   -1.8831    0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7712   -0.1566   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    0.3698    1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2613   -1.4355    2.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -1.0168    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.5238    2.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -0.8363   -2.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2623   -2.3548   -4.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454   -2.1752   -1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261   -1.7945   -0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190   -1.5661   -1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8124    0.5939   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1789    0.7598   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950   -0.1319   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818   -1.4847    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3310   -3.2960   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951   -0.1990    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4170   -1.4476    3.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524   -1.0208    2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246   -3.2432    0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  9 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 26 39  2  0
 39 40  1  0
 40 41  2  0
  8  2  1  0
 19 10  1  0
 39 21  1  0
 40  6  1  0
 37 28  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  3 45  1  0
  5 46  1  0
  8 47  1  0
  9 48  1  0
 10 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 22 60  1  0
 24 61  1  0
 25 62  1  0
 28 63  1  0
 30 64  1  0
 31 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
M  END


  Mrv0541 02241211422D          

 41 45  0  0  0  0            999 V2000
    1.0710    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -4.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -4.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0710   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3574   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9294    2.0623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0710    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575    3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2145    3.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    3.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    4.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -0.8249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  2  0  0  0  0
  4  5  1  0  0  0  0
  4 28  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 41  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 38  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041268

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3

> <INCHI_KEY>
VICGNLNFFZAFLT-UHFFFAOYSA-N

> <FORMULA>
C27H32O14

> <MOLECULAR_WEIGHT>
580.5346

> <EXACT_MASS>
580.179205732

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
56.33028588087575

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one

> <ALOGPS_LOGP>
-0.97

> <JCHEM_LOGP>
-1.525872532666667

> <ALOGPS_LOGS>
-1.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.044415946490934

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.787062286944102

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6259011132889434

> <JCHEM_POLAR_SURFACE_AREA>
247.05999999999995

> <JCHEM_REFRACTIVITY>
136.14370000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.75e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10H-anthracen-9-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041268
     RDKit          3D
Cascaroside F
 73 77  0  0  0  0  0  0  0  0999 V2000
   -3.6802    5.3461    1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998    4.3360    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045    4.4358    1.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    3.4714    1.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415    3.5532    2.0647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    2.4166    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277    2.3162   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796    3.2905   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    1.1872   -1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278    0.4252   -0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079   -0.6039   -1.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539   -1.4038   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2665   -2.8612   -1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3776   -3.6155   -0.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.9806    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3932   -0.0287   -0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -0.5458    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4169   -1.4884    2.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -0.1189    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856    0.8550    1.5878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    0.3036   -1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673   -0.7266   -2.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748   -1.5967   -2.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0437   -2.6152   -3.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316   -1.4824   -1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339   -0.4790   -0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -0.2888   -0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453   -0.9768   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7153   -0.1494   -0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662   -0.9086   -0.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0012    0.0369   -0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -0.6714   -1.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2446   -1.7103    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   -3.0868    0.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -1.2860    1.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7178   -1.9993    2.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -1.5498    1.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528   -2.9147    1.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594    0.3946   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    1.4707    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169    1.5866    0.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4735    4.9528    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1066    5.5690    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991    6.2481    1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886    5.2670    2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794    4.3170    2.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026    3.2161   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    1.6263   -2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2095    1.0963   -0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3979   -1.3793   -2.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7870   -3.2539   -1.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090   -2.9889   -0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1765   -4.2125    0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9615   -1.8831    0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7712   -0.1566   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    0.3698    1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2613   -1.4355    2.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -1.0168    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.5238    2.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -0.8363   -2.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2623   -2.3548   -4.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454   -2.1752   -1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261   -1.7945   -0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190   -1.5661   -1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8124    0.5939   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1789    0.7598   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950   -0.1319   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818   -1.4847    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3310   -3.2960   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951   -0.1990    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4170   -1.4476    3.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524   -1.0208    2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246   -3.2432    0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  9 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 26 39  2  0
 39 40  1  0
 40 41  2  0
  8  2  1  0
 19 10  1  0
 39 21  1  0
 40  6  1  0
 37 28  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  3 45  1  0
  5 46  1  0
  8 47  1  0
  9 48  1  0
 10 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 22 60  1  0
 24 61  1  0
 25 62  1  0
 28 63  1  0
 30 64  1  0
 31 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       1.999   3.080   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.999   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.667   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -0.667   3.080   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -0.667  -3.080   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.667  -3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.667  -5.390   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.667  -6.159   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       4.668  -1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.334   0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.668   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.000   0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.000  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.335  -1.540   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.999  -7.699   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       1.999  -6.159   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.334  -5.390   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.668  -6.159   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.668  -7.699   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       3.334  -3.850   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       1.999  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.999  -1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.667  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.667  -1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.999  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.999   0.770   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.668   3.080   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -7.335   3.850   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -6.000   3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -4.668   3.850   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -3.334   3.080   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -1.999   3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.999   5.390   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -0.667   6.159   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -6.000   6.159   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -4.668   5.390   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -3.334   6.159   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -3.334   7.699   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -3.334  -1.540   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   12                                                  
CONECT    3    2    4   25                                                  
CONECT    4    3    5   28                                                  
CONECT    5    4   34                                                       
CONECT    6    7                                                            
CONECT    7    6    8   23                                                  
CONECT    8    7    9   18                                                  
CONECT    9    8                                                            
CONECT   10   11   15                                                       
CONECT   11   10   12   24                                                  
CONECT   12    2   11   13                                                  
CONECT   13   12   14   29                                                  
CONECT   14   13   15                                                       
CONECT   15   10   14   16                                                  
CONECT   16   15                                                            
CONECT   17   18                                                            
CONECT   18    8   17   19                                                  
CONECT   19   18   20   22                                                  
CONECT   20   19   21                                                       
CONECT   21   20                                                            
CONECT   22   19   23                                                       
CONECT   23    7   22   24                                                  
CONECT   24   11   23   25                                                  
CONECT   25    3   24   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   41                                                  
CONECT   28    4   27                                                       
CONECT   29   13                                                            
CONECT   30   31                                                            
CONECT   31   30   32                                                       
CONECT   32   31   33   38                                                  
CONECT   33   32   34                                                       
CONECT   34    5   33   35                                                  
CONECT   35   34   36   39                                                  
CONECT   36   35                                                            
CONECT   37   38                                                            
CONECT   38   32   37   39                                                  
CONECT   39   35   38   40                                                  
CONECT   40   39                                                            
CONECT   41   27                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

COMPND    HMDB0041268
HETATM    1  C1  UNL     1      -3.680   5.346   1.019  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.600   4.336   0.850  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.405   4.436   1.567  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.445   3.471   1.366  1.00  0.00           C  
HETATM    5  O1  UNL     1       0.741   3.553   2.065  1.00  0.00           O  
HETATM    6  C5  UNL     1      -0.658   2.417   0.468  1.00  0.00           C  
HETATM    7  C6  UNL     1      -1.828   2.316  -0.233  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.780   3.290  -0.022  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.095   1.187  -1.161  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.328   0.425  -0.693  1.00  0.00           C  
HETATM   11  O2  UNL     1      -3.608  -0.604  -1.530  1.00  0.00           O  
HETATM   12  C10 UNL     1      -4.654  -1.404  -1.166  1.00  0.00           C  
HETATM   13  C11 UNL     1      -4.266  -2.861  -1.019  1.00  0.00           C  
HETATM   14  O3  UNL     1      -5.378  -3.616  -0.647  1.00  0.00           O  
HETATM   15  C12 UNL     1      -5.386  -0.981   0.061  1.00  0.00           C  
HETATM   16  O4  UNL     1      -6.393  -0.029  -0.221  1.00  0.00           O  
HETATM   17  C13 UNL     1      -4.515  -0.546   1.194  1.00  0.00           C  
HETATM   18  O5  UNL     1      -4.417  -1.488   2.215  1.00  0.00           O  
HETATM   19  C14 UNL     1      -3.143  -0.119   0.705  1.00  0.00           C  
HETATM   20  O6  UNL     1      -2.686   0.855   1.588  1.00  0.00           O  
HETATM   21  C15 UNL     1      -0.922   0.304  -1.365  1.00  0.00           C  
HETATM   22  C16 UNL     1      -0.967  -0.727  -2.304  1.00  0.00           C  
HETATM   23  C17 UNL     1       0.075  -1.597  -2.524  1.00  0.00           C  
HETATM   24  O7  UNL     1      -0.044  -2.615  -3.490  1.00  0.00           O  
HETATM   25  C18 UNL     1       1.232  -1.482  -1.812  1.00  0.00           C  
HETATM   26  C19 UNL     1       1.334  -0.479  -0.869  1.00  0.00           C  
HETATM   27  O8  UNL     1       2.449  -0.289  -0.112  1.00  0.00           O  
HETATM   28  C20 UNL     1       3.645  -0.977  -0.090  1.00  0.00           C  
HETATM   29  O9  UNL     1       4.715  -0.149  -0.437  1.00  0.00           O  
HETATM   30  C21 UNL     1       5.866  -0.909  -0.627  1.00  0.00           C  
HETATM   31  C22 UNL     1       7.001   0.037  -0.956  1.00  0.00           C  
HETATM   32  O10 UNL     1       8.192  -0.671  -1.159  1.00  0.00           O  
HETATM   33  C23 UNL     1       6.245  -1.710   0.572  1.00  0.00           C  
HETATM   34  O11 UNL     1       6.186  -3.087   0.366  1.00  0.00           O  
HETATM   35  C24 UNL     1       5.342  -1.286   1.715  1.00  0.00           C  
HETATM   36  O12 UNL     1       5.718  -1.999   2.826  1.00  0.00           O  
HETATM   37  C25 UNL     1       3.910  -1.550   1.304  1.00  0.00           C  
HETATM   38  O13 UNL     1       3.653  -2.915   1.240  1.00  0.00           O  
HETATM   39  C26 UNL     1       0.259   0.395  -0.664  1.00  0.00           C  
HETATM   40  C27 UNL     1       0.446   1.471   0.299  1.00  0.00           C  
HETATM   41  O14 UNL     1       1.517   1.587   0.965  1.00  0.00           O  
HETATM   42  H1  UNL     1      -4.473   4.953   1.691  1.00  0.00           H  
HETATM   43  H2  UNL     1      -4.107   5.569   0.007  1.00  0.00           H  
HETATM   44  H3  UNL     1      -3.199   6.248   1.468  1.00  0.00           H  
HETATM   45  H4  UNL     1      -1.289   5.267   2.246  1.00  0.00           H  
HETATM   46  H5  UNL     1       0.879   4.317   2.706  1.00  0.00           H  
HETATM   47  H6  UNL     1      -3.703   3.216  -0.573  1.00  0.00           H  
HETATM   48  H7  UNL     1      -2.349   1.626  -2.147  1.00  0.00           H  
HETATM   49  H8  UNL     1      -4.210   1.096  -0.654  1.00  0.00           H  
HETATM   50  H9  UNL     1      -5.398  -1.379  -2.016  1.00  0.00           H  
HETATM   51  H10 UNL     1      -3.787  -3.254  -1.949  1.00  0.00           H  
HETATM   52  H11 UNL     1      -3.509  -2.989  -0.218  1.00  0.00           H  
HETATM   53  H12 UNL     1      -5.177  -4.213   0.130  1.00  0.00           H  
HETATM   54  H13 UNL     1      -5.962  -1.883   0.425  1.00  0.00           H  
HETATM   55  H14 UNL     1      -6.771  -0.157  -1.108  1.00  0.00           H  
HETATM   56  H15 UNL     1      -5.000   0.370   1.645  1.00  0.00           H  
HETATM   57  H16 UNL     1      -5.261  -1.436   2.733  1.00  0.00           H  
HETATM   58  H17 UNL     1      -2.503  -1.017   0.707  1.00  0.00           H  
HETATM   59  H18 UNL     1      -2.893   0.524   2.499  1.00  0.00           H  
HETATM   60  H19 UNL     1      -1.861  -0.836  -2.895  1.00  0.00           H  
HETATM   61  H20 UNL     1       0.262  -2.355  -4.436  1.00  0.00           H  
HETATM   62  H21 UNL     1       2.045  -2.175  -1.995  1.00  0.00           H  
HETATM   63  H22 UNL     1       3.626  -1.794  -0.831  1.00  0.00           H  
HETATM   64  H23 UNL     1       5.719  -1.566  -1.529  1.00  0.00           H  
HETATM   65  H24 UNL     1       6.812   0.594  -1.902  1.00  0.00           H  
HETATM   66  H25 UNL     1       7.179   0.760  -0.140  1.00  0.00           H  
HETATM   67  H26 UNL     1       8.995  -0.132  -0.935  1.00  0.00           H  
HETATM   68  H27 UNL     1       7.282  -1.485   0.893  1.00  0.00           H  
HETATM   69  H28 UNL     1       6.331  -3.296  -0.580  1.00  0.00           H  
HETATM   70  H29 UNL     1       5.495  -0.199   1.868  1.00  0.00           H  
HETATM   71  H30 UNL     1       6.417  -1.448   3.298  1.00  0.00           H  
HETATM   72  H31 UNL     1       3.252  -1.021   2.003  1.00  0.00           H  
HETATM   73  H32 UNL     1       3.825  -3.243   0.302  1.00  0.00           H  
CONECT    1    2   42   43   44
CONECT    2    3    3    8
CONECT    3    4   45
CONECT    4    5    6    6
CONECT    5   46
CONECT    6    7   40
CONECT    7    8    8    9
CONECT    8   47
CONECT    9   10   21   48
CONECT   10   11   19   49
CONECT   11   12
CONECT   12   13   15   50
CONECT   13   14   51   52
CONECT   14   53
CONECT   15   16   17   54
CONECT   16   55
CONECT   17   18   19   56
CONECT   18   57
CONECT   19   20   58
CONECT   20   59
CONECT   21   22   22   39
CONECT   22   23   60
CONECT   23   24   25   25
CONECT   24   61
CONECT   25   26   62
CONECT   26   27   39   39
CONECT   27   28
CONECT   28   29   37   63
CONECT   29   30
CONECT   30   31   33   64
CONECT   31   32   65   66
CONECT   32   67
CONECT   33   34   35   68
CONECT   34   69
CONECT   35   36   37   70
CONECT   36   71
CONECT   37   38   72
CONECT   38   73
CONECT   39   40
CONECT   40   41   41
END

HMDB0041268
     RDKit          3D
Cascaroside F
 73 77  0  0  0  0  0  0  0  0999 V2000
   -3.6802    5.3461    1.0187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5998    4.3360    0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4045    4.4358    1.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    3.4714    1.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7415    3.5532    2.0647 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584    2.4166    0.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277    2.3162   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796    3.2905   -0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0952    1.1872   -1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278    0.4252   -0.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6079   -0.6039   -1.5300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6539   -1.4038   -1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2665   -2.8612   -1.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3776   -3.6155   -0.6468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.9806    0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3932   -0.0287   -0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -0.5458    1.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4169   -1.4884    2.2148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429   -0.1189    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856    0.8550    1.5878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    0.3036   -1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9673   -0.7266   -2.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0748   -1.5967   -2.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0437   -2.6152   -3.4904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2316   -1.4824   -1.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339   -0.4790   -0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4492   -0.2888   -0.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453   -0.9768   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7153   -0.1494   -0.4370 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662   -0.9086   -0.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0012    0.0369   -0.9563 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1923   -0.6714   -1.1588 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2446   -1.7103    0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1857   -3.0868    0.3663 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3424   -1.2860    1.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7178   -1.9993    2.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9101   -1.5498    1.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6528   -2.9147    1.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2594    0.3946   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    1.4707    0.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5169    1.5866    0.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4735    4.9528    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1066    5.5690    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991    6.2481    1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2886    5.2670    2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794    4.3170    2.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7026    3.2161   -0.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    1.6263   -2.1466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2095    1.0963   -0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3979   -1.3793   -2.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7870   -3.2539   -1.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5090   -2.9889   -0.2178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1765   -4.2125    0.1303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9615   -1.8831    0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7712   -0.1566   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9996    0.3698    1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2613   -1.4355    2.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -1.0168    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927    0.5238    2.4991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610   -0.8363   -2.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2623   -2.3548   -4.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0454   -2.1752   -1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6261   -1.7945   -0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190   -1.5661   -1.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8124    0.5939   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1789    0.7598   -0.1405 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9950   -0.1319   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2818   -1.4847    0.8927 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3310   -3.2960   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951   -0.1990    1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4170   -1.4476    3.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2524   -1.0208    2.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8246   -3.2432    0.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  9 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 26 39  2  0
 39 40  1  0
 40 41  2  0
  8  2  1  0
 19 10  1  0
 39 21  1  0
 40  6  1  0
 37 28  1  0
  1 42  1  0
  1 43  1  0
  1 44  1  0
  3 45  1  0
  5 46  1  0
  8 47  1  0
  9 48  1  0
 10 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  0
 15 54  1  0
 16 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 22 60  1  0
 24 61  1  0
 25 62  1  0
 28 63  1  0
 30 64  1  0
 31 65  1  0
 31 66  1  0
 32 67  1  0
 33 68  1  0
 34 69  1  0
 35 70  1  0
 36 71  1  0
 37 72  1  0
 38 73  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₂O₁₄

Average Molecular Weight

580.5346

Monoisotopic Molecular Weight

580.179205732

IUPAC Name

1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-one

Traditional Name

1,6-dihydroxy-3-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10H-anthracen-9-one

CAS Registry Number

164322-83-2

SMILES

CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H32O14/c1-8-2-10-16(26-24(37)22(35)19(32)14(6-28)39-26)11-4-9(30)5-13(18(11)21(34)17(10)12(31)3-8)40-27-25(38)23(36)20(33)15(7-29)41-27/h2-5,14-16,19-20,22-33,35-38H,6-7H2,1H3

InChI Key

VICGNLNFFZAFLT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Anthracene
C-glycosyl compound
O-glycosyl compound
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monosaccharide
Benzenoid
Oxane
Vinylogous acid
Ketone
Secondary alcohol
Acetal
Dialkyl ether
Ether
Oxacycle
Organoheterocyclic compound
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
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: HMDB0041268)
Cytoplasm (HMDB: HMDB0041268)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	176 - 178 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	1675 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.75 g/L	ALOGPS
logP	-0.97	ALOGPS
logP	-1.5	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	7.79	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	247.06 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	136.14 m³·mol⁻¹	ChemAxon
Polarizability	56.33 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	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	231.037	31661259
DarkChem	[M-H]-	223.993	31661259
DeepCCS	[M+H]+	230.513	30932474
DeepCCS	[M-H]-	228.118	30932474
DeepCCS	[M-2H]-	261.16	30932474
DeepCCS	[M+Na]+	236.426	30932474
AllCCS	[M+H]+	229.0	32859911
AllCCS	[M+H-H2O]+	227.7	32859911
AllCCS	[M+NH4]+	230.2	32859911
AllCCS	[M+Na]+	230.5	32859911
AllCCS	[M-H]-	224.2	32859911
AllCCS	[M+Na-2H]-	226.0	32859911
AllCCS	[M+HCOO]-	228.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Cascaroside F	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O	4830.6	Standard polar	33892256
Cascaroside F	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O	4693.9	Standard non polar	33892256
Cascaroside F	CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=C(O)C=C1OC1OC(CO)C(O)C(O)C1O)C2C1OC(CO)C(O)C(O)C1O	5351.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Cascaroside F,1TMS,isomer #1	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5128.9	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #10	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	5091.2	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #2	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5148.1	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #3	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5077.8	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #4	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5117.4	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #5	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5083.3	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #6	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5107.7	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #7	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	5074.2	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #8	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	5099.0	Semi standard non polar	33892256
Cascaroside F,1TMS,isomer #9	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	5082.6	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #1	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4988.1	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #10	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4992.8	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #11	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4996.7	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #12	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4969.5	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #13	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4994.7	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #14	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4995.0	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #15	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5018.2	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #16	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4983.3	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #17	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5015.9	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #18	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4951.1	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #19	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4947.8	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #2	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	5002.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #20	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4930.1	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #21	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4942.5	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #22	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4978.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #23	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4958.6	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #24	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4984.5	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #25	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4973.9	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #26	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4987.2	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #27	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4968.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #28	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4982.1	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #29	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4990.7	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #3	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4981.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #30	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4999.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #31	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4940.6	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #32	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4951.3	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #33	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4927.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #34	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4950.6	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #35	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5009.6	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #36	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4973.8	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #37	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4989.5	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #38	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4971.8	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #39	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4985.1	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #4	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4997.1	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #40	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4957.5	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #41	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4947.8	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #42	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4957.0	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #43	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4989.2	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #44	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4970.3	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #45	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4993.1	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #5	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5053.6	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #6	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4979.0	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #7	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5018.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #8	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4985.4	Semi standard non polar	33892256
Cascaroside F,2TMS,isomer #9	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5017.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #1	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4862.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #10	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4870.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #100	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4958.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #101	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4818.6	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #102	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4797.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #103	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4817.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #104	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4890.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #105	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4843.6	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #106	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4820.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #107	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4909.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #108	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4844.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #109	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4880.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #11	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4929.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #110	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4906.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #111	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4868.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #112	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4848.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #113	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4869.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #114	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4894.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #115	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4874.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #116	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4898.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #117	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4859.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #118	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4836.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #119	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4848.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #12	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4834.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #120	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4915.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #13	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4898.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #14	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4845.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #15	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4907.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #16	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4889.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #17	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4886.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #18	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4803.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #19	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4866.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #2	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4833.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #20	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4811.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #21	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4876.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #22	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4928.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #23	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4831.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #24	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4894.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #25	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4847.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #26	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4902.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #27	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4894.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #28	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4957.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #29	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4901.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #3	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4862.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #30	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4962.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #31	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4869.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #32	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4838.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #33	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4894.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #34	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4891.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #35	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4910.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #36	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4934.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #37	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4875.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #38	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4853.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #39	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4875.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #4	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4903.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #40	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4849.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #41	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4895.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #42	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4842.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #43	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4898.6	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #44	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4902.6	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #45	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4883.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #46	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4863.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #47	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4915.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #48	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4863.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #49	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4916.6	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #5	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4827.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #50	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4902.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #51	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4827.6	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #52	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4881.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #53	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4826.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #54	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4885.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #55	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4862.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #56	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4911.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #57	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4859.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #58	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4915.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #59	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4895.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #6	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4880.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #60	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4862.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #61	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4917.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #62	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4898.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #63	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4921.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #64	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4939.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #65	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4812.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #66	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4796.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #67	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4813.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #68	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4842.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #69	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4815.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #7	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4831.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #70	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4861.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #71	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4833.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #72	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4809.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #73	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4857.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #74	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4824.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #75	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4876.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #76	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4834.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #77	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4828.9	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #78	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4793.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #79	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4846.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #8	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4889.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #80	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4851.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #81	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4821.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #82	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4871.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #83	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4864.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #84	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4914.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #85	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4901.2	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #86	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4864.8	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #87	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4843.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #88	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4864.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #89	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4848.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #9	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4885.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #90	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4861.5	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #91	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4889.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #92	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4866.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #93	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4861.4	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #94	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4877.6	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #95	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4892.1	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #96	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4838.0	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #97	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4854.3	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #98	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4860.7	Semi standard non polar	33892256
Cascaroside F,3TMS,isomer #99	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4876.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #1	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4723.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #10	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4655.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #100	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4742.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #101	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4707.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #102	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4758.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #103	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4745.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #104	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4762.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #105	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4769.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #106	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4789.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #107	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4726.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #108	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4764.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #109	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4710.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #11	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4705.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #110	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4772.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #111	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4708.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #112	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4748.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #113	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4693.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #114	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4755.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #115	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4747.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #116	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4712.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #117	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4763.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #118	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4750.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #119	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4768.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #12	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4660.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #120	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4780.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #121	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4716.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #122	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4757.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #123	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4702.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #124	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4765.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #125	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4718.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #126	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4676.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #127	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4731.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #128	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4712.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #129	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4733.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #13	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4709.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #130	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4740.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #131	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4744.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #132	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4706.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #133	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4760.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #134	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4746.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #135	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4766.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #136	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4776.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #137	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4773.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #138	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4820.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #139	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4798.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #14	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4749.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #140	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4831.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #141	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4703.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #142	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4663.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #143	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4709.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #144	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4682.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #145	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4724.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #146	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4693.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #147	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4703.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #148	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4664.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #149	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4715.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #15	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4674.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #150	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4712.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #151	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4678.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #152	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4728.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #153	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4742.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #154	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4785.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #155	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4763.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #156	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4713.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #157	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4725.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #158	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4689.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #159	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4738.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #16	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4721.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #160	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4705.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #161	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4671.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #162	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4718.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #163	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4736.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #164	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4783.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #165	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4758.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #166	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4713.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #167	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4673.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #168	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4728.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #169	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4708.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #17	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4676.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #170	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4761.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #171	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4731.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #172	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4731.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #173	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4779.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #174	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4752.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #175	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4846.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #176	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4738.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #177	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4700.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #178	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4714.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #179	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4726.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #18	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4728.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #180	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4725.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #181	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4700.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #182	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4712.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #183	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4711.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #184	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4725.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #185	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4775.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #186	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4757.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #187	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4728.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #188	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4740.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #189	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4708.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #19	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4722.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #190	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4720.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #191	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4778.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #192	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4716.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #193	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4730.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #194	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4753.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #195	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4774.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #196	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4697.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #197	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4657.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #198	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4734.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #199	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4682.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #2	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4694.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #20	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4777.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #200	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4716.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #201	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4733.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #202	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4717.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #203	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4750.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #204	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4730.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #205	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4739.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #206	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4738.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #207	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4700.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #208	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4724.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #209	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4757.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #21	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4723.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #210	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4729.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #22	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4778.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #23	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4709.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #24	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4682.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #25	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4728.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #26	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4727.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #27	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4737.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #28	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C2=C1	4745.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #29	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4759.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #3	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4752.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #30	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4779.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #31	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4693.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #32	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4743.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #33	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4706.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #34	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4749.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #35	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4763.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #36	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4674.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #37	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4724.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #38	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4684.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #39	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4730.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #4	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4673.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #40	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4738.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #41	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4796.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #42	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4745.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #43	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4801.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #44	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4720.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #45	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4692.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #46	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4738.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #47	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4738.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #48	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4751.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #49	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4762.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #5	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4723.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #50	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4771.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #51	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4684.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #52	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4735.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #53	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4692.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #54	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4741.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #55	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4706.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #56	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4760.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #57	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4703.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #58	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4766.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #59	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4700.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #6	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4681.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #60	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4660.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #61	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4714.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #62	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4710.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #63	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4727.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #64	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4730.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #65	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4734.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #66	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4792.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #67	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4738.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #68	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4797.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #69	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4716.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #7	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4730.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #70	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4687.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #71	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4733.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #72	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4735.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #73	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4748.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #74	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4759.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #75	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4783.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #76	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4749.9	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #77	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4800.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #78	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4795.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #79	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4813.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #8	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4710.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #80	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4824.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #81	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4753.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #82	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4793.5	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #83	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4779.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #84	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	4816.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #85	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C2=C1	4751.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #86	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C2=C1	4726.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #87	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4708.0	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #88	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4749.1	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #89	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4696.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #9	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4733.7	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #90	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C2=C1	4752.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #91	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C2=C1	4738.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #92	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4696.6	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #93	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4732.3	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #94	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4675.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #95	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C2=C1	4735.8	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #96	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4705.2	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #97	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4743.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #98	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4686.4	Semi standard non polar	33892256
Cascaroside F,4TMS,isomer #99	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C2=C1	4747.1	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #1	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5296.1	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #10	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5289.9	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #2	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5319.1	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #3	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5266.5	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #4	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5324.2	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #5	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5297.3	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #6	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5312.5	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #7	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	5255.4	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #8	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5300.8	Semi standard non polar	33892256
Cascaroside F,1TBDMS,isomer #9	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5288.5	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #1	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	5347.7	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #10	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	5363.5	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #11	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5376.3	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #12	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5360.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #13	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5373.4	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #14	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5372.1	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #15	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5410.3	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #16	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5377.7	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #17	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5409.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #18	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	5294.4	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #19	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5297.3	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #2	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5362.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #20	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5288.5	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #21	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5290.2	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #22	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5344.6	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #23	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5339.7	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #24	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5362.0	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #25	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	5337.6	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #26	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5348.9	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #27	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5343.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #28	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5343.3	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #29	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5369.0	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #3	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5349.9	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #30	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5385.4	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #31	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	5303.1	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #32	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5317.4	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #33	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5311.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #34	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5317.3	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #35	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5393.7	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #36	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C2=C1	5330.9	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #37	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5342.0	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #38	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5335.4	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #39	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5337.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #4	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5357.5	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #40	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C2=C1	5305.3	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #41	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5316.1	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #42	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5304.9	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #43	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C2=C1	5336.3	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #44	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C2=C1	5325.0	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #45	CC1=CC(O)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C2=C1	5338.5	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #5	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O)C=C(O[Si](C)(C)C(C)(C)C)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5427.9	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #6	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5346.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #7	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5396.8	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #8	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5365.5	Semi standard non polar	33892256
Cascaroside F,2TBDMS,isomer #9	CC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C=C(O)C=C3C(C3OC(CO)C(O)C(O)C3O)C2=C1	5396.7	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 - Cascaroside F GC-MS (Non-derivatized) - 70eV, Positive	splash10-02ta-2200890000-4d2f76a4f5c271ee6ab3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS ("Cascaroside F,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Cascaroside F GC-MS (TMS_2_13) - 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 - Cascaroside F 10V, Positive-QTOF	splash10-0i0r-0000970000-fa060eaf0e5d8b8d24d0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 20V, Positive-QTOF	splash10-0uxr-0121910000-52d40990009f2dac0e90	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 40V, Positive-QTOF	splash10-1001-2287910000-7ad4099a980c753a5eb3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 10V, Negative-QTOF	splash10-004i-0111590000-6f491b2a819e438dbd10	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 20V, Negative-QTOF	splash10-02ta-2217960000-772fbfe0ac8c0adbb40e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 40V, Negative-QTOF	splash10-0174-5129400000-94018706f2c0f52ca570	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 10V, Negative-QTOF	splash10-004i-0002960000-645dda8c04086bcc94be	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 20V, Negative-QTOF	splash10-014j-1007930000-eb924d45abc17ec457ae	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 40V, Negative-QTOF	splash10-0a4i-9065400000-d65ed5f658acc1f0849d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 10V, Positive-QTOF	splash10-0gc0-0110940000-95901ea1ebf26cf6547c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 20V, Positive-QTOF	splash10-0pvi-1351970000-95abfc5ac77d837257a6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Cascaroside F 40V, Positive-QTOF	splash10-05mk-8440900000-b087ac452ec03e19c4a6	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	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

FDB021180

KNApSAcK ID

C00054570

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

92029625

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1890961

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 Cascaroside F (HMDB0041268)

MOL for HMDB0041268 (Cascaroside F)

3D MOL for HMDB0041268 (Cascaroside F)

3D SDF for HMDB0041268 (Cascaroside F)

3D-SDF for HMDB0041268 (Cascaroside F)

PDB for HMDB0041268 (Cascaroside F)

3D PDB for HMDB0041268 (Cascaroside F)

SMILES for HMDB0041268 (Cascaroside F)

INCHI for HMDB0041268 (Cascaroside F)

Structure for HMDB0041268 (Cascaroside F)

3D Structure for HMDB0041268 (Cascaroside F)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra