Hmdb loader

Showing metabocard for Gossypetin 8-glucoside 3-sulfate (HMDB0037751)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:00:33 UTC
Update Date2022-03-07 02:55:29 UTC
HMDB IDHMDB0037751
Secondary Accession Numbers
  • HMDB37751
Metabolite Identification
Common NameGossypetin 8-glucoside 3-sulfate
DescriptionGossypetin 8-glucoside 3-sulfate belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Based on a literature review very few articles have been published on Gossypetin 8-glucoside 3-sulfate.
Structure
Data?1563863083
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)


  Mrv0541 05061309592D          

 38 41  0  0  0  0            999 V2000
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 13  1  0  0  0  0
 28 14  2  0  0  0  0
 29 15  1  0  0  0  0
 30 16  1  0  0  0  0
 34 11  1  0  0  0  0
 34 21  1  0  0  0  0
 35 17  1  0  0  0  0
 35 19  1  0  0  0  0
 36 18  1  0  0  0  0
 36 21  1  0  0  0  0
 37 20  1  0  0  0  0
 38 31  1  0  0  0  0
 38 32  2  0  0  0  0
 38 33  2  0  0  0  0
 38 37  1  0  0  0  0
M  END
Download

3D MOL for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)

HMDB0037751
     RDKit          3D
Gossypetin 8-glucoside 3-sulfate
 58 61  0  0  0  0  0  0  0  0999 V2000
    3.7182   -3.4268   -0.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397   -2.5351   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.1834   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5676   -0.9807   -0.4949 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0871   -0.9435   -2.1427 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.0386   -0.2193   -2.9519 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2146   -2.3321   -2.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5278   -0.1031   -2.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -0.2164   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    1.1984   -0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    1.7168   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0142    3.1019   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    3.9692   -0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005    5.3200   -0.5755 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7019    3.4450   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432    4.3408   -0.5459 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161    2.0937   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199   -0.5979    0.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060   -1.8238    0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498   -2.0671    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120   -1.0444    0.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.2619    1.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007    1.0491    1.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6006    1.7343    0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    1.2912   -1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4488    1.9962   -1.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477    1.5987    0.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9158    2.1981   -0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3848    0.1105    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6944   -0.0095    1.3697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4121   -0.4235    1.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7692   -1.6600    2.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430   -3.3815    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730   -3.7219    0.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -4.4224    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973   -4.1731    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537   -5.2089    0.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -2.8569    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8786    0.0853   -1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7165    1.1302   -0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232    3.4820   -0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071    5.9430   -0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2864    3.9628   -0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    1.7026   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3546   -0.5644    2.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.8188    0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070    0.2081   -1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    1.4821   -1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988    2.9653   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1639    2.0292    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6598    1.6176   -0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2428   -0.4294   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8361   -0.9741    1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    0.2930    2.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5319   -1.7854    3.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382   -4.6691    0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -5.4668    0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785   -5.4014   -0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  3  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 20 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38  2  1  0
 17 10  1  0
 38 19  1  0
 31 22  1  0
  8 39  1  0
 11 40  1  0
 12 41  1  0
 14 42  1  0
 16 43  1  0
 17 44  1  0
 22 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 31 54  1  0
 32 55  1  0
 34 56  1  0
 35 57  1  0
 37 58  1  0
M  END
Download

3D SDF for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)


  Mrv0541 05061309592D          

 38 41  0  0  0  0            999 V2000
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  6  1  1  0  0  0  0
  6  3  2  0  0  0  0
  7  2  1  0  0  0  0
  8  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  4  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17  6  1  0  0  0  0
 18 10  2  0  0  0  0
 19 12  2  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 20 17  2  0  0  0  0
 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 23  7  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 10  1  0  0  0  0
 27 13  1  0  0  0  0
 28 14  2  0  0  0  0
 29 15  1  0  0  0  0
 30 16  1  0  0  0  0
 34 11  1  0  0  0  0
 34 21  1  0  0  0  0
 35 17  1  0  0  0  0
 35 19  1  0  0  0  0
 36 18  1  0  0  0  0
 36 21  1  0  0  0  0
 37 20  1  0  0  0  0
 38 31  1  0  0  0  0
 38 32  2  0  0  0  0
 38 33  2  0  0  0  0
 38 37  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037751

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O16S/c22-5-11-13(27)15(29)16(30)21(34-11)36-18-10(26)4-9(25)12-14(28)20(37-38(31,32)33)17(35-19(12)18)6-1-2-7(23)8(24)3-6/h1-4,11,13,15-16,21-27,29-30H,5H2,(H,31,32,33)

> <INCHI_KEY>
DMAOYRIREVHKFQ-UHFFFAOYSA-N

> <FORMULA>
C21H20O16S

> <MOLECULAR_WEIGHT>
560.439

> <EXACT_MASS>
560.047205282

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
49.54170400986164

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxidanesulfonic acid

> <ALOGPS_LOGP>
-0.01

> <JCHEM_LOGP>
-3.048297565016554

> <ALOGPS_LOGS>
-1.93

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.8038604596027215

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.5572508971009933

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648395386296187

> <JCHEM_POLAR_SURFACE_AREA>
270.2

> <JCHEM_REFRACTIVITY>
120.97929999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.52e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxidanesulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)

HMDB0037751
     RDKit          3D
Gossypetin 8-glucoside 3-sulfate
 58 61  0  0  0  0  0  0  0  0999 V2000
    3.7182   -3.4268   -0.3014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397   -2.5351   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -1.1834   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5676   -0.9807   -0.4949 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0871   -0.9435   -2.1427 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.0386   -0.2193   -2.9519 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2146   -2.3321   -2.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5278   -0.1031   -2.2142 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -0.2164   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5857    1.1984   -0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8460    1.7168   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0142    3.1019   -0.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9603    3.9692   -0.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005    5.3200   -0.5755 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7019    3.4450   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432    4.3408   -0.5459 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161    2.0937   -0.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199   -0.5979    0.0352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6060   -1.8238    0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7498   -2.0671    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6120   -1.0444    0.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.2619    1.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007    1.0491    1.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6006    1.7343    0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5213    1.2912   -1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4488    1.9962   -1.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0477    1.5987    0.8451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9158    2.1981   -0.0300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3848    0.1105    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6944   -0.0095    1.3697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4121   -0.4235    1.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7692   -1.6600    2.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1430   -3.3815    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730   -3.7219    0.6342 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2614   -4.4224    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0973   -4.1731    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9537   -5.2089    0.0092 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266   -2.8569    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8786    0.0853   -1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7165    1.1302   -0.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0232    3.4820   -0.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4071    5.9430   -0.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2864    3.9628   -0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    1.7026   -0.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3546   -0.5644    2.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3125    2.8188    0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7070    0.2081   -1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356    1.4821   -1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2988    2.9653   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1639    2.0292    1.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6598    1.6176   -0.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2428   -0.4294   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8361   -0.9741    1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5732    0.2930    2.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5319   -1.7854    3.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7382   -4.6691    0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -5.4668    0.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785   -5.4014   -0.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  3  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 20 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38  2  1  0
 17 10  1  0
 38 19  1  0
 31 22  1  0
  8 39  1  0
 11 40  1  0
 12 41  1  0
 14 42  1  0
 16 43  1  0
 17 44  1  0
 22 45  1  0
 24 46  1  0
 25 47  1  0
 25 48  1  0
 26 49  1  0
 27 50  1  0
 28 51  1  0
 29 52  1  0
 30 53  1  0
 31 54  1  0
 32 55  1  0
 34 56  1  0
 35 57  1  0
 37 58  1  0
M  END
Download

PDB for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.668   6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.461  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.541  -2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   38  S   UNK     0       4.001  -2.310   0.000  0.00  0.00           S+0
CONECT    1    2    6                                                       
CONECT    2    1    7                                                       
CONECT    3    6    8                                                       
CONECT    4    9   10                                                       
CONECT    5   11   22                                                       
CONECT    6    1    3   17                                                  
CONECT    7    2    8   23                                                  
CONECT    8    3    7   24                                                  
CONECT    9    4   12   25                                                  
CONECT   10    4   18   26                                                  
CONECT   11    5   13   34                                                  
CONECT   12    9   14   19                                                  
CONECT   13   11   15   27                                                  
CONECT   14   12   20   28                                                  
CONECT   15   13   16   29                                                  
CONECT   16   15   21   30                                                  
CONECT   17    6   20   35                                                  
CONECT   18   10   19   36                                                  
CONECT   19   12   18   35                                                  
CONECT   20   14   17   37                                                  
CONECT   21   16   34   36                                                  
CONECT   22    5                                                            
CONECT   23    7                                                            
CONECT   24    8                                                            
CONECT   25    9                                                            
CONECT   26   10                                                            
CONECT   27   13                                                            
CONECT   28   14                                                            
CONECT   29   15                                                            
CONECT   30   16                                                            
CONECT   31   38                                                            
CONECT   32   38                                                            
CONECT   33   38                                                            
CONECT   34   11   21                                                       
CONECT   35   17   19                                                       
CONECT   36   18   21                                                       
CONECT   37   20   38                                                       
CONECT   38   31   32   33   37                                             
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END
Download

3D PDB for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)

COMPND    HMDB0037751
HETATM    1  O1  UNL     1       3.718  -3.427  -0.301  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.840  -2.535  -0.191  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.204  -1.183  -0.279  1.00  0.00           C  
HETATM    4  O2  UNL     1       4.568  -0.981  -0.495  1.00  0.00           O  
HETATM    5  S1  UNL     1       5.087  -0.944  -2.143  1.00  0.00           S  
HETATM    6  O3  UNL     1       4.039  -0.219  -2.952  1.00  0.00           O  
HETATM    7  O4  UNL     1       5.215  -2.332  -2.680  1.00  0.00           O  
HETATM    8  O5  UNL     1       6.528  -0.103  -2.214  1.00  0.00           O  
HETATM    9  C3  UNL     1       2.266  -0.216  -0.159  1.00  0.00           C  
HETATM   10  C4  UNL     1       2.586   1.198  -0.238  1.00  0.00           C  
HETATM   11  C5  UNL     1       3.846   1.717  -0.254  1.00  0.00           C  
HETATM   12  C6  UNL     1       4.014   3.102  -0.369  1.00  0.00           C  
HETATM   13  C7  UNL     1       2.960   3.969  -0.465  1.00  0.00           C  
HETATM   14  O6  UNL     1       3.200   5.320  -0.575  1.00  0.00           O  
HETATM   15  C8  UNL     1       1.702   3.445  -0.447  1.00  0.00           C  
HETATM   16  O7  UNL     1       0.643   4.341  -0.546  1.00  0.00           O  
HETATM   17  C9  UNL     1       1.516   2.094  -0.336  1.00  0.00           C  
HETATM   18  O8  UNL     1       1.020  -0.598   0.035  1.00  0.00           O  
HETATM   19  C10 UNL     1       0.606  -1.824   0.126  1.00  0.00           C  
HETATM   20  C11 UNL     1      -0.750  -2.067   0.335  1.00  0.00           C  
HETATM   21  O9  UNL     1      -1.612  -1.044   0.435  1.00  0.00           O  
HETATM   22  C12 UNL     1      -2.014  -0.262   1.500  1.00  0.00           C  
HETATM   23  O10 UNL     1      -1.701   1.049   1.173  1.00  0.00           O  
HETATM   24  C13 UNL     1      -2.601   1.734   0.427  1.00  0.00           C  
HETATM   25  C14 UNL     1      -2.521   1.291  -1.018  1.00  0.00           C  
HETATM   26  O11 UNL     1      -3.449   1.996  -1.796  1.00  0.00           O  
HETATM   27  C15 UNL     1      -4.048   1.599   0.845  1.00  0.00           C  
HETATM   28  O12 UNL     1      -4.916   2.198  -0.030  1.00  0.00           O  
HETATM   29  C16 UNL     1      -4.385   0.111   0.934  1.00  0.00           C  
HETATM   30  O13 UNL     1      -5.694  -0.010   1.370  1.00  0.00           O  
HETATM   31  C17 UNL     1      -3.412  -0.423   1.987  1.00  0.00           C  
HETATM   32  O14 UNL     1      -3.769  -1.660   2.435  1.00  0.00           O  
HETATM   33  C18 UNL     1      -1.143  -3.382   0.428  1.00  0.00           C  
HETATM   34  O15 UNL     1      -2.473  -3.722   0.634  1.00  0.00           O  
HETATM   35  C19 UNL     1      -0.261  -4.422   0.322  1.00  0.00           C  
HETATM   36  C20 UNL     1       1.097  -4.173   0.112  1.00  0.00           C  
HETATM   37  O16 UNL     1       1.954  -5.209   0.009  1.00  0.00           O  
HETATM   38  C21 UNL     1       1.527  -2.857   0.013  1.00  0.00           C  
HETATM   39  H1  UNL     1       6.879   0.085  -1.325  1.00  0.00           H  
HETATM   40  H2  UNL     1       4.717   1.130  -0.160  1.00  0.00           H  
HETATM   41  H3  UNL     1       5.023   3.482  -0.379  1.00  0.00           H  
HETATM   42  H4  UNL     1       2.407   5.943  -0.646  1.00  0.00           H  
HETATM   43  H5  UNL     1      -0.286   3.963  -0.533  1.00  0.00           H  
HETATM   44  H6  UNL     1       0.512   1.703  -0.321  1.00  0.00           H  
HETATM   45  H7  UNL     1      -1.355  -0.564   2.375  1.00  0.00           H  
HETATM   46  H8  UNL     1      -2.312   2.819   0.416  1.00  0.00           H  
HETATM   47  H9  UNL     1      -2.707   0.208  -1.162  1.00  0.00           H  
HETATM   48  H10 UNL     1      -1.536   1.482  -1.490  1.00  0.00           H  
HETATM   49  H11 UNL     1      -3.299   2.965  -1.561  1.00  0.00           H  
HETATM   50  H12 UNL     1      -4.164   2.029   1.846  1.00  0.00           H  
HETATM   51  H13 UNL     1      -5.660   1.618  -0.308  1.00  0.00           H  
HETATM   52  H14 UNL     1      -4.243  -0.429  -0.001  1.00  0.00           H  
HETATM   53  H15 UNL     1      -5.836  -0.974   1.631  1.00  0.00           H  
HETATM   54  H16 UNL     1      -3.573   0.293   2.860  1.00  0.00           H  
HETATM   55  H17 UNL     1      -3.532  -1.785   3.401  1.00  0.00           H  
HETATM   56  H18 UNL     1      -2.738  -4.669   0.698  1.00  0.00           H  
HETATM   57  H19 UNL     1      -0.562  -5.467   0.394  1.00  0.00           H  
HETATM   58  H20 UNL     1       2.878  -5.401  -0.125  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   38
CONECT    3    4    9    9
CONECT    4    5
CONECT    5    6    6    7    7
CONECT    5    8
CONECT    8   39
CONECT    9   10   18
CONECT   10   11   11   17
CONECT   11   12   40
CONECT   12   13   13   41
CONECT   13   14   15
CONECT   14   42
CONECT   15   16   17   17
CONECT   16   43
CONECT   17   44
CONECT   18   19
CONECT   19   20   20   38
CONECT   20   21   33
CONECT   21   22
CONECT   22   23   31   45
CONECT   23   24
CONECT   24   25   27   46
CONECT   25   26   47   48
CONECT   26   49
CONECT   27   28   29   50
CONECT   28   51
CONECT   29   30   31   52
CONECT   30   53
CONECT   31   32   54
CONECT   32   55
CONECT   33   34   35   35
CONECT   34   56
CONECT   35   36   57
CONECT   36   37   38   38
CONECT   37   58
END
Download

SMILES for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)

OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O
Download

INCHI for HMDB0037751 (Gossypetin 8-glucoside 3-sulfate)

InChI=1S/C21H20O16S/c22-5-11-13(27)15(29)16(30)21(34-11)36-18-10(26)4-9(25)12-14(28)20(37-38(31,32)33)17(35-19(12)18)6-1-2-7(23)8(24)3-6/h1-4,11,13,15-16,21-27,29-30H,5H2,(H,31,32,33)
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Gossypetin 8-glucoside 3-sulfuric acidGenerator
Gossypetin 8-glucoside 3-sulphateGenerator
Gossypetin 8-glucoside 3-sulphuric acidGenerator
[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxidanesulfonateHMDB
[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxidanesulphonateHMDB
[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxidanesulphonic acidHMDB
Chemical FormulaC21H20O16S
Average Molecular Weight560.439
Monoisotopic Molecular Weight560.047205282
IUPAC Name[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-3-yl]oxidanesulfonic acid
Traditional Name[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-3-yl]oxidanesulfonic acid
CAS Registry NumberNot Available
SMILES
OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O
InChI Identifier
InChI=1S/C21H20O16S/c22-5-11-13(27)15(29)16(30)21(34-11)36-18-10(26)4-9(25)12-14(28)20(37-38(31,32)33)17(35-19(12)18)6-1-2-7(23)8(24)3-6/h1-4,11,13,15-16,21-27,29-30H,5H2,(H,31,32,33)
InChI KeyDMAOYRIREVHKFQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3-o-glycoside
  • 3p-methoxyflavonoid-skeleton
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • 7-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Chromone
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • Methoxyphenol
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • Pyranone
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyran
  • Oxane
  • Monocyclic benzene moiety
  • Benzenoid
  • Heteroaromatic compound
  • Tetrahydrofuran
  • Vinylogous acid
  • Secondary alcohol
  • Oxacycle
  • Ether
  • Acetal
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.52 g/LALOGPS
logP-0.01ALOGPS
logP-3ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)-2.6ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count15ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area270.2 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity120.98 m³·mol⁻¹ChemAxon
Polarizability49.54 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+226.56631661259
DarkChem[M-H]-220.89731661259
DeepCCS[M+H]+213.77230932474
DeepCCS[M-H]-211.40930932474
DeepCCS[M-2H]-244.64830932474
DeepCCS[M+Na]+219.68530932474
AllCCS[M+H]+218.332859911
AllCCS[M+H-H2O]+216.532859911
AllCCS[M+NH4]+219.832859911
AllCCS[M+Na]+220.332859911
AllCCS[M-H]-214.732859911
AllCCS[M+Na-2H]-215.832859911
AllCCS[M+HCOO]-217.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Gossypetin 8-glucoside 3-sulfateOCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O7457.9Standard polar33892256
Gossypetin 8-glucoside 3-sulfateOCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O4603.1Standard non polar33892256
Gossypetin 8-glucoside 3-sulfateOCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC(O)=C(O)C=C2)=C(OS(O)(=O)=O)C3=O)C(O)C(O)C1O5065.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O5015.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #2C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O4990.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #3C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O25003.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #4C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4985.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O5009.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #6C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)OC(CO)C(O)C1O4998.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #7C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C1O4987.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #8C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C1O4990.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TMS,isomer #9C[Si](C)(C)OS(=O)(=O)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=CC(O)=C2C1=O5042.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4928.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #10C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4909.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #11C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4886.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #12C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4916.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #13C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4907.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #14C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4923.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #15C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O4934.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #16C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O24899.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #17C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O24880.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #18C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O24902.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4880.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4912.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #20C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4858.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #21C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24935.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #22C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4848.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #23C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4824.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #24C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4859.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #25C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4877.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #26C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4894.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #27C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4875.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4851.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4887.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4907.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4921.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #31C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C1O4932.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #32C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)OC(CO)C(O)C1O[Si](C)(C)C4942.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #33C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)OC(CO)C(O)C1O4933.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #34C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C1O[Si](C)(C)C4928.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #35C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C1O4916.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #36C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C1O4930.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4880.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4944.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4927.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4941.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4944.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TMS,isomer #9C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O4904.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4773.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4802.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4761.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4799.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4794.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4755.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4793.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4738.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4788.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4777.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4758.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4773.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4704.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4751.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #22C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4752.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #23C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4860.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #24C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4870.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #25C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O4837.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #26C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4840.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #27C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O4814.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #28C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O[Si](C)(C)C4831.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4737.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4743.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #30C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4710.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #31C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4791.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #32C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4749.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #33C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4791.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #34C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O4790.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #35C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4767.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #36C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4720.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #37C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4778.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #38C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4783.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #39C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4782.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4830.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #40C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4737.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #41C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4696.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #42C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4747.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #43C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4762.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #44C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4816.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #45C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4823.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #46C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4817.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #47C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4836.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #48C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4795.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #49C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4818.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4800.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #50C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O24769.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #51C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O24780.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #52C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4734.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #53C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4704.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #54C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24790.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #55C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O24796.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #56C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4682.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #57C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4658.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #58C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24762.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #59C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4731.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4827.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #60C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4701.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #61C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24791.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #62C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4732.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #63C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4747.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #64C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4724.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #65C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4715.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #66C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4720.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #67C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4751.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #68C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4725.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #69C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4744.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4817.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #70C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4716.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #71C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4692.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #72C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4761.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #73C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4735.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #74C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4761.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #75C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4745.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #76C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4756.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #77C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4754.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #78C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4773.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #79C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4717.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4730.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #80C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4763.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #81C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4852.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #82C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O4812.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #83C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)OC(CO)C(O)C1O[Si](C)(C)C4830.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #84C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C1O[Si](C)(C)C4806.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,3TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4699.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #1C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4603.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #10C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4661.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #100C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4608.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #101C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4594.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #102C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4610.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #103C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4590.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #104C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24693.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #105C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4589.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #106C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4566.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #107C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4550.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #108C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4642.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #109C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4613.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #11C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4645.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #110C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4597.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #111C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4635.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #112C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4647.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #113C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4649.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #114C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4609.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #115C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4662.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #116C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4620.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #117C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4653.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #118C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4659.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #119C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4623.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #12C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4651.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #120C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4608.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #121C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4665.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #122C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4672.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #123C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4624.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #124C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4636.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #125C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4642.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #126C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4742.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #13C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4589.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #14C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4639.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #15C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4631.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #16C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4747.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #17C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4754.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #18C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O4746.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #19C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4736.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #2C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4585.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #20C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O4708.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #21C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O[Si](C)(C)C4732.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #22C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4618.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #23C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4632.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #24C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4576.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #25C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4622.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #26C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4616.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #27C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4612.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #28C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4556.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #29C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4601.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #3C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4695.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #30C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4602.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #31C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4705.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #32C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4717.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #33C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O4715.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #34C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4698.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #35C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O4670.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #36C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O[Si](C)(C)C4703.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #37C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4677.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #38C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4618.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #39C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4665.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #4C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4647.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #40C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4648.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #41C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4671.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #42C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4687.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #43C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O4679.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #44C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4662.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #45C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O4613.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #46C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O[Si](C)(C)C4665.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #47C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4649.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #48C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4665.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #49C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O4660.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #5C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C4679.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #50C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4643.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #51C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O4597.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #52C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O[Si](C)(C)C4645.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #53C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4782.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #54C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4768.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #55C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4777.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #56C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4751.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #57C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4626.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #58C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4571.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #59C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4630.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #6C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C)C3=O)C(O)C(O)C1O4674.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #60C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4658.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #61C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O4616.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #62C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4606.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #63C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4553.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #64C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4611.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #65C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O4602.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #66C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4670.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #67C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4676.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #68C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4686.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #69C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4684.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #7C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O4663.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #70C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4653.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #71C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4696.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #72C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4645.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #73C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4657.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #74C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4680.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #75C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O4650.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #76C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1O4655.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #77C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O[Si](C)(C)C4633.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #78C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4603.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #79C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O[Si](C)(C)C4694.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #8C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C)C(O)C1O4674.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #80C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4664.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #81C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4682.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #82C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4626.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #83C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4638.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #84C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)=CC=C1O4634.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #85C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)=CC=C1O4636.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #86C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4586.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #87C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4648.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #88C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4746.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #89C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4715.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #9C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C)C1O4611.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #90C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4722.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #91C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4733.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #92C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O24696.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #93C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1O4598.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #94C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)=CC=C1O4577.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #95C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24677.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #96C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1O4614.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #97C[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)=CC=C1O4596.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #98C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O24681.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,4TMS,isomer #99C[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C4637.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O5249.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O5236.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O25247.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O5219.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O5247.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)OC(CO)C(O)C1O5259.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C1O5238.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C1O5257.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,1TBDMS,isomer #9CC(C)(C)[Si](C)(C)OS(=O)(=O)OC1=C(C2=CC=C(O)C(O)=C2)OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=CC(O)=C2C1=O5313.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O5317.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O5314.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O5282.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5312.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5291.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5312.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O5383.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O25297.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O25271.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C(OS(=O)(=O)O)=C(C1=CC=C(O)C(O)=C1)O25298.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O5339.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O5302.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O5304.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O25381.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)=CC=C1O5260.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)=CC=C1O5243.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #24CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)=CC=C1O5255.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #25CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O[Si](C)(C)C(C)(C)C5287.1Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #26CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)=CC=C1O5349.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #27CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1O5296.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #28CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1O5277.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #29CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1O5292.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O5303.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #30CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1O5379.8Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #31CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O5323.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #32CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C5326.5Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #33CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3=O)OC(CO)C(O)C1O5372.2Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #34CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C5303.4Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #35CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3=O)C1O5355.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #36CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3=O)C(O)C1O5375.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O5267.9Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5316.6Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5303.3Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O)C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5310.7Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C(O)=C2)=C(OS(=O)(=O)O[Si](C)(C)C(C)(C)C)C3=O)C(O)C(O)C1O5383.0Semi standard non polar33892256
Gossypetin 8-glucoside 3-sulfate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OS(=O)(=O)O)=C(C3=CC=C(O)C(O)=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O5297.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (Non-derivatized) - 70eV, Positivesplash10-01oy-8903270000-a095394a5baf0ec1be0d2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (1 TMS) - 70eV, Positivesplash10-0fri-5932015000-1d118f921329cce45f4e2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS ("Gossypetin 8-glucoside 3-sulfate,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Gossypetin 8-glucoside 3-sulfate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 10V, Positive-QTOFsplash10-01pn-0109070000-29ddd218747e66279d982016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 20V, Positive-QTOFsplash10-015a-0109010000-7095ac1470e2c9cddf392016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 40V, Positive-QTOFsplash10-0kw0-0903000000-a028cd8d043e5dde6c402016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 10V, Negative-QTOFsplash10-0a4j-2205290000-f1a8e4612329d2ab1c402016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 20V, Negative-QTOFsplash10-002b-1419210000-eda820a759e04ee8aacb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 40V, Negative-QTOFsplash10-015m-7429000000-0fbdb2883ab9851bf4ee2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 10V, Negative-QTOFsplash10-0a4i-0000090000-29bc7a7c718f3ec25dcb2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 20V, Negative-QTOFsplash10-0a4i-0002090000-8073801b793097dcaa872021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 40V, Negative-QTOFsplash10-0cfr-2809150000-26743023c56f81c560af2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 10V, Positive-QTOFsplash10-03di-0000090000-795b080ea103eef185b22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 20V, Positive-QTOFsplash10-03di-0000090000-19920453bc2524c6eea52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Gossypetin 8-glucoside 3-sulfate 40V, Positive-QTOFsplash10-001i-2209150000-8bc0e29a9ec4a3ea18902021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB016890
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound74978559
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .