Hmdb loader

Showing metabocard for Piceatannol 4'-galloylglucoside (HMDB0040862)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 02:28:04 UTC
Update Date2022-03-07 02:56:46 UTC
HMDB IDHMDB0040862
Secondary Accession Numbers
  • HMDB40862
Metabolite Identification
Common NamePiceatannol 4'-galloylglucoside
DescriptionPiceatannol 4'-galloylglucoside belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton. Piceatannol 4'-galloylglucoside has been detected, but not quantified in, green vegetables. This could make piceatannol 4'-galloylglucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Piceatannol 4'-galloylglucoside.
Structure
Data?1563863596
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0040862 (Piceatannol 4'-galloylglucoside)


  Mrv0541 05061312122D          

 40 43  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    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
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    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
    2.8579    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    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
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    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
    2.8579   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    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
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    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
    1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  0  0  0  0
 12  1  1  0  0  0  0
 12  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 13  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16  6  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  2  0  0  0  0
 20  4  1  0  0  0  0
 20 17  2  0  0  0  0
 21 11  1  0  0  0  0
 22 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 14  1  0  0  0  0
 27 25  1  0  0  0  0
 28 15  1  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 22  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 37 26  2  0  0  0  0
 38 11  1  0  0  0  0
 38 26  1  0  0  0  0
 39 20  1  0  0  0  0
 39 27  1  0  0  0  0
 40 21  1  0  0  0  0
 40 27  1  0  0  0  0
M  END
Download

3D MOL for HMDB0040862 (Piceatannol 4'-galloylglucoside)

HMDB0040862
     RDKit          3D
Piceatannol 4'-galloylglucoside
 66 69  0  0  0  0  0  0  0  0999 V2000
   -5.2249    0.9986    1.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2907   -0.1635    1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2603   -1.0507    1.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888   -0.7333    2.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934    0.3804    1.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838    0.6116    2.1718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2134    1.4169    1.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617    0.5897    1.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.5502    1.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    1.3788    2.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0462    1.3122    2.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169    0.4061    1.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2732    0.2925    2.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    0.0448    1.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3805   -0.1526    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5491    0.4484   -0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786    0.1839   -2.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6976    0.8332   -2.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4946   -0.7312   -2.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3467   -1.3472   -1.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2752   -2.2754   -2.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3120   -1.0843   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972   -0.4158    0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.3525    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963   -1.2308   -0.2501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8529    2.1503    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    3.0034   -0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610    1.0890   -0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7743    1.6523   -1.7665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9740   -0.0080   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -0.0729   -0.7145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4775   -0.5957    0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5920   -1.8808   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6843   -2.3344   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7353   -3.6585   -1.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7076   -1.4493   -1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8243   -1.8279   -1.8466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6059   -0.1357   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6464    0.7601   -0.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5061    0.2804    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -0.3505    3.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4906   -1.6607    2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9294    1.2697    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    2.1384    2.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666    2.1074    2.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5004    1.9781    3.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4491    0.4412    3.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3234   -0.0334    2.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415    1.2200   -0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0296    1.5015   -2.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5287   -0.9467   -3.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9169   -2.7493   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9685   -1.5537    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857   -1.1933    0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -1.1741   -0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7255    2.7483    0.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    3.8333   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819    0.6370   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5832    2.1364   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5008   -0.9987   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0015    0.1255   -1.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7804   -2.5802    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4865   -4.0355   -1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9752   -2.7308   -2.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5763    1.6899   -0.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4143    1.2979    0.4411 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 12 23  1  0
 23 24  2  0
 24 25  1  0
  7 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  2 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 30  5  1  0
 40 32  1  0
 24  9  1  0
 22 15  1  0
  4 41  1  0
  4 42  1  0
  5 43  1  0
  7 44  1  0
 10 45  1  0
 11 46  1  0
 13 47  1  0
 14 48  1  0
 16 49  1  0
 18 50  1  0
 19 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 25 55  1  0
 26 56  1  0
 27 57  1  0
 28 58  1  0
 29 59  1  0
 30 60  1  0
 31 61  1  0
 33 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 40 66  1  0
M  END
Download

3D SDF for HMDB0040862 (Piceatannol 4'-galloylglucoside)


  Mrv0541 05061312122D          

 40 43  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    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
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    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
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    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
    2.8579    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    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
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    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
    2.8579   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    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
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    7.4250    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
    1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  4  3  2  0  0  0  0
 12  1  1  0  0  0  0
 12  3  1  0  0  0  0
 12  7  2  0  0  0  0
 13  2  1  0  0  0  0
 13  5  2  0  0  0  0
 13  6  1  0  0  0  0
 14  8  2  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 15 10  2  0  0  0  0
 16  6  2  0  0  0  0
 16 10  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19  9  2  0  0  0  0
 20  4  1  0  0  0  0
 20 17  2  0  0  0  0
 21 11  1  0  0  0  0
 22 18  2  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 14  1  0  0  0  0
 27 25  1  0  0  0  0
 28 15  1  0  0  0  0
 29 16  1  0  0  0  0
 30 17  1  0  0  0  0
 31 18  1  0  0  0  0
 32 19  1  0  0  0  0
 33 22  1  0  0  0  0
 34 23  1  0  0  0  0
 35 24  1  0  0  0  0
 36 25  1  0  0  0  0
 37 26  2  0  0  0  0
 38 11  1  0  0  0  0
 38 26  1  0  0  0  0
 39 20  1  0  0  0  0
 39 27  1  0  0  0  0
 40 21  1  0  0  0  0
 40 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040862

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1-

> <INCHI_KEY>
WBKDRBRGYHZWCT-UPHRSURJSA-N

> <FORMULA>
C27H26O13

> <MOLECULAR_WEIGHT>
558.4875

> <EXACT_MASS>
558.137340918

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
53.80191033611847

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

> <ALOGPS_LOGP>
2.11

> <JCHEM_LOGP>
2.415361355

> <ALOGPS_LOGS>
-3.34

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.080431371856074

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.06041425005836

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678967020864805

> <JCHEM_POLAR_SURFACE_AREA>
226.82999999999996

> <JCHEM_REFRACTIVITY>
137.3455

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.54e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0040862 (Piceatannol 4'-galloylglucoside)

HMDB0040862
     RDKit          3D
Piceatannol 4'-galloylglucoside
 66 69  0  0  0  0  0  0  0  0999 V2000
   -5.2249    0.9986    1.5057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2907   -0.1635    1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2603   -1.0507    1.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0888   -0.7333    2.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2934    0.3804    1.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1838    0.6116    2.1718 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2134    1.4169    1.5720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7617    0.5897    1.0411 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1073    0.5502    1.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7081    1.3788    2.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0462    1.3122    2.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169    0.4061    1.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2732    0.2925    2.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3177    0.0448    1.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3805   -0.1526    0.2363 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5491    0.4484   -0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786    0.1839   -2.0268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6976    0.8332   -2.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4946   -0.7312   -2.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3467   -1.3472   -1.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2752   -2.2754   -2.1174 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3120   -1.0843   -0.2731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2972   -0.4158    0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9309   -0.3525    0.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3963   -1.2308   -0.2501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8529    2.1503    0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1590    3.0034   -0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1610    1.0890   -0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7743    1.6523   -1.7665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9740   -0.0080   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -0.0729   -0.7145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4775   -0.5957    0.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5920   -1.8808   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6843   -2.3344   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7353   -3.6585   -1.3265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7076   -1.4493   -1.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8243   -1.8279   -1.8466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6059   -0.1357   -0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6464    0.7601   -0.9181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5061    0.2804    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4073   -0.3505    3.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4906   -1.6607    2.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9294    1.2697    1.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    2.1384    2.3390 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0666    2.1074    2.7756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5004    1.9781    3.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4491    0.4412    3.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3234   -0.0334    2.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8415    1.2200   -0.3600 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0296    1.5015   -2.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5287   -0.9467   -3.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9169   -2.7493   -1.4986 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9685   -1.5537    0.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8857   -1.1933    0.4778 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080   -1.1741   -0.4407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7255    2.7483    0.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2428    3.8333   -0.4403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1819    0.6370   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5832    2.1364   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5008   -0.9987   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0015    0.1255   -1.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7804   -2.5802    0.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4865   -4.0355   -1.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9752   -2.7308   -2.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5763    1.6899   -0.5801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4143    1.2979    0.4411 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 12 23  1  0
 23 24  2  0
 24 25  1  0
  7 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
  2 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 30  5  1  0
 40 32  1  0
 24  9  1  0
 22 15  1  0
  4 41  1  0
  4 42  1  0
  5 43  1  0
  7 44  1  0
 10 45  1  0
 11 46  1  0
 13 47  1  0
 14 48  1  0
 16 49  1  0
 18 50  1  0
 19 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 25 55  1  0
 26 56  1  0
 27 57  1  0
 28 58  1  0
 29 59  1  0
 30 60  1  0
 31 61  1  0
 33 62  1  0
 35 63  1  0
 37 64  1  0
 39 65  1  0
 40 66  1  0
M  END
Download

PDB for HMDB0040862 (Piceatannol 4'-galloylglucoside)

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       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   6.160   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       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  17.710   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335  15.400   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  16.170   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  18.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  16.170   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  17.710   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      10.669   1.540   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.335  20.020   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002  15.400   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       8.002  18.480   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.334  16.170   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667  13.860   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667  10.780   0.000  0.00  0.00           O+0
CONECT    1    2   12                                                       
CONECT    2    1   13                                                       
CONECT    3    4   12                                                       
CONECT    4    3   20                                                       
CONECT    5   13   15                                                       
CONECT    6   13   16                                                       
CONECT    7   12   17                                                       
CONECT    8   14   18                                                       
CONECT    9   14   19                                                       
CONECT   10   15   16                                                       
CONECT   11   21   38                                                       
CONECT   12    1    3    7                                                  
CONECT   13    2    5    6                                                  
CONECT   14    8    9   26                                                  
CONECT   15    5   10   28                                                  
CONECT   16    6   10   29                                                  
CONECT   17    7   20   30                                                  
CONECT   18    8   22   31                                                  
CONECT   19    9   22   32                                                  
CONECT   20    4   17   39                                                  
CONECT   21   11   23   40                                                  
CONECT   22   18   19   33                                                  
CONECT   23   21   24   34                                                  
CONECT   24   23   25   35                                                  
CONECT   25   24   27   36                                                  
CONECT   26   14   37   38                                                  
CONECT   27   25   39   40                                                  
CONECT   28   15                                                            
CONECT   29   16                                                            
CONECT   30   17                                                            
CONECT   31   18                                                            
CONECT   32   19                                                            
CONECT   33   22                                                            
CONECT   34   23                                                            
CONECT   35   24                                                            
CONECT   36   25                                                            
CONECT   37   26                                                            
CONECT   38   11   26                                                       
CONECT   39   20   27                                                       
CONECT   40   21   27                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END
Download

3D PDB for HMDB0040862 (Piceatannol 4'-galloylglucoside)

COMPND    HMDB0040862
HETATM    1  O1  UNL     1      -5.225   0.999   1.506  1.00  0.00           O  
HETATM    2  C1  UNL     1      -5.291  -0.164   1.097  1.00  0.00           C  
HETATM    3  O2  UNL     1      -4.260  -1.051   1.358  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.089  -0.733   2.079  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.293   0.380   1.399  1.00  0.00           C  
HETATM    6  O3  UNL     1      -1.184   0.612   2.172  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.213   1.417   1.572  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.762   0.590   1.041  1.00  0.00           O  
HETATM    9  C5  UNL     1       2.107   0.550   1.337  1.00  0.00           C  
HETATM   10  C6  UNL     1       2.708   1.379   2.256  1.00  0.00           C  
HETATM   11  C7  UNL     1       4.046   1.312   2.523  1.00  0.00           C  
HETATM   12  C8  UNL     1       4.917   0.406   1.892  1.00  0.00           C  
HETATM   13  C9  UNL     1       6.273   0.293   2.335  1.00  0.00           C  
HETATM   14  C10 UNL     1       7.318   0.045   1.650  1.00  0.00           C  
HETATM   15  C11 UNL     1       7.380  -0.153   0.236  1.00  0.00           C  
HETATM   16  C12 UNL     1       6.549   0.448  -0.661  1.00  0.00           C  
HETATM   17  C13 UNL     1       6.579   0.184  -2.027  1.00  0.00           C  
HETATM   18  O5  UNL     1       5.698   0.833  -2.886  1.00  0.00           O  
HETATM   19  C14 UNL     1       7.495  -0.731  -2.512  1.00  0.00           C  
HETATM   20  C15 UNL     1       8.347  -1.347  -1.612  1.00  0.00           C  
HETATM   21  O6  UNL     1       9.275  -2.275  -2.117  1.00  0.00           O  
HETATM   22  C16 UNL     1       8.312  -1.084  -0.273  1.00  0.00           C  
HETATM   23  C17 UNL     1       4.297  -0.416   0.977  1.00  0.00           C  
HETATM   24  C18 UNL     1       2.931  -0.352   0.699  1.00  0.00           C  
HETATM   25  O7  UNL     1       2.396  -1.231  -0.250  1.00  0.00           O  
HETATM   26  C19 UNL     1      -0.853   2.150   0.385  1.00  0.00           C  
HETATM   27  O8  UNL     1       0.159   3.003  -0.100  1.00  0.00           O  
HETATM   28  C20 UNL     1      -1.161   1.089  -0.650  1.00  0.00           C  
HETATM   29  O9  UNL     1      -1.774   1.652  -1.767  1.00  0.00           O  
HETATM   30  C21 UNL     1      -1.974  -0.008  -0.032  1.00  0.00           C  
HETATM   31  O10 UNL     1      -3.189  -0.073  -0.715  1.00  0.00           O  
HETATM   32  C22 UNL     1      -6.478  -0.596   0.328  1.00  0.00           C  
HETATM   33  C23 UNL     1      -6.592  -1.881  -0.147  1.00  0.00           C  
HETATM   34  C24 UNL     1      -7.684  -2.334  -0.873  1.00  0.00           C  
HETATM   35  O11 UNL     1      -7.735  -3.658  -1.326  1.00  0.00           O  
HETATM   36  C25 UNL     1      -8.708  -1.449  -1.131  1.00  0.00           C  
HETATM   37  O12 UNL     1      -9.824  -1.828  -1.847  1.00  0.00           O  
HETATM   38  C26 UNL     1      -8.606  -0.136  -0.654  1.00  0.00           C  
HETATM   39  O13 UNL     1      -9.646   0.760  -0.918  1.00  0.00           O  
HETATM   40  C27 UNL     1      -7.506   0.280   0.064  1.00  0.00           C  
HETATM   41  H1  UNL     1      -3.407  -0.351   3.067  1.00  0.00           H  
HETATM   42  H2  UNL     1      -2.491  -1.661   2.149  1.00  0.00           H  
HETATM   43  H3  UNL     1      -2.929   1.270   1.378  1.00  0.00           H  
HETATM   44  H4  UNL     1       0.115   2.138   2.339  1.00  0.00           H  
HETATM   45  H5  UNL     1       2.067   2.107   2.776  1.00  0.00           H  
HETATM   46  H6  UNL     1       4.500   1.978   3.255  1.00  0.00           H  
HETATM   47  H7  UNL     1       6.449   0.441   3.438  1.00  0.00           H  
HETATM   48  H8  UNL     1       8.323  -0.033   2.185  1.00  0.00           H  
HETATM   49  H9  UNL     1       5.841   1.220  -0.360  1.00  0.00           H  
HETATM   50  H10 UNL     1       5.030   1.501  -2.527  1.00  0.00           H  
HETATM   51  H11 UNL     1       7.529  -0.947  -3.571  1.00  0.00           H  
HETATM   52  H12 UNL     1       9.917  -2.749  -1.499  1.00  0.00           H  
HETATM   53  H13 UNL     1       8.969  -1.554   0.450  1.00  0.00           H  
HETATM   54  H14 UNL     1       4.886  -1.193   0.478  1.00  0.00           H  
HETATM   55  H15 UNL     1       1.408  -1.174  -0.441  1.00  0.00           H  
HETATM   56  H16 UNL     1      -1.726   2.748   0.675  1.00  0.00           H  
HETATM   57  H17 UNL     1      -0.243   3.833  -0.440  1.00  0.00           H  
HETATM   58  H18 UNL     1      -0.182   0.637  -0.965  1.00  0.00           H  
HETATM   59  H19 UNL     1      -2.583   2.136  -1.413  1.00  0.00           H  
HETATM   60  H20 UNL     1      -1.501  -0.999  -0.101  1.00  0.00           H  
HETATM   61  H21 UNL     1      -3.002   0.125  -1.671  1.00  0.00           H  
HETATM   62  H22 UNL     1      -5.780  -2.580   0.059  1.00  0.00           H  
HETATM   63  H23 UNL     1      -8.486  -4.035  -1.847  1.00  0.00           H  
HETATM   64  H24 UNL     1      -9.975  -2.731  -2.218  1.00  0.00           H  
HETATM   65  H25 UNL     1      -9.576   1.690  -0.580  1.00  0.00           H  
HETATM   66  H26 UNL     1      -7.414   1.298   0.441  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   32
CONECT    3    4
CONECT    4    5   41   42
CONECT    5    6   30   43
CONECT    6    7
CONECT    7    8   26   44
CONECT    8    9
CONECT    9   10   10   24
CONECT   10   11   45
CONECT   11   12   12   46
CONECT   12   13   23
CONECT   13   14   14   47
CONECT   14   15   48
CONECT   15   16   16   22
CONECT   16   17   49
CONECT   17   18   19   19
CONECT   18   50
CONECT   19   20   51
CONECT   20   21   22   22
CONECT   21   52
CONECT   22   53
CONECT   23   24   24   54
CONECT   24   25
CONECT   25   55
CONECT   26   27   28   56
CONECT   27   57
CONECT   28   29   30   58
CONECT   29   59
CONECT   30   31   60
CONECT   31   61
CONECT   32   33   33   40
CONECT   33   34   62
CONECT   34   35   36   36
CONECT   35   63
CONECT   36   37   38
CONECT   37   64
CONECT   38   39   40   40
CONECT   39   65
CONECT   40   66
END
Download

SMILES for HMDB0040862 (Piceatannol 4'-galloylglucoside)

OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O
Download

INCHI for HMDB0040862 (Piceatannol 4'-galloylglucoside)

InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1-
Download
View in JSmolView Stereo Labels
Synonyms
ValueSource
(6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoic acidGenerator
Chemical FormulaC27H26O13
Average Molecular Weight558.4875
Monoisotopic Molecular Weight558.137340918
IUPAC Name(6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
Traditional Name(6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3,4,5-trihydroxybenzoate
CAS Registry Number116107-19-8
SMILES
OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O
InChI Identifier
InChI=1S/C27H26O13/c28-15-5-13(6-16(29)10-15)2-1-12-3-4-20(17(30)7-12)39-27-25(36)24(35)23(34)21(40-27)11-38-26(37)14-8-18(31)22(33)19(32)9-14/h1-10,21,23-25,27-36H,11H2/b2-1-
InChI KeyWBKDRBRGYHZWCT-UPHRSURJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as stilbene glycosides. Stilbene glycosides are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassStilbenes
Sub ClassStilbene glycosides
Direct ParentStilbene glycosides
Alternative Parents
Substituents
  • Stilbene glycoside
  • Phenolic glycoside
  • Galloyl ester
  • Gallic acid or derivatives
  • Glycosyl compound
  • P-hydroxybenzoic acid alkyl ester
  • M-hydroxybenzoic acid ester
  • P-hydroxybenzoic acid ester
  • O-glycosyl compound
  • Benzoate ester
  • Pyrogallol derivative
  • Benzenetriol
  • Benzoic acid or derivatives
  • Styrene
  • Resorcinol
  • Phenoxy compound
  • Phenol ether
  • Benzoyl
  • Phenol
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Monosaccharide
  • Monocyclic benzene moiety
  • Oxane
  • Benzenoid
  • Secondary alcohol
  • Carboxylic acid ester
  • Acetal
  • Oxacycle
  • Organoheterocyclic compound
  • Carboxylic acid derivative
  • Polyol
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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 Solubility0.25 g/LALOGPS
logP2.11ALOGPS
logP2.42ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)8.06ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area226.83 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity137.35 m³·mol⁻¹ChemAxon
Polarizability53.8 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
DeepCCS[M+H]+226.67830932474
DeepCCS[M-H]-224.85330932474
DeepCCS[M-2H]-258.09530932474
DeepCCS[M+Na]+232.34330932474
AllCCS[M+H]+226.232859911
AllCCS[M+H-H2O]+224.632859911
AllCCS[M+NH4]+227.532859911
AllCCS[M+Na]+227.932859911
AllCCS[M-H]-219.632859911
AllCCS[M+Na-2H]-221.132859911
AllCCS[M+HCOO]-222.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Piceatannol 4'-galloylglucosideOC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O8296.2Standard polar33892256
Piceatannol 4'-galloylglucosideOC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O5317.0Standard non polar33892256
Piceatannol 4'-galloylglucosideOC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=C(O)C=C(\C=C/C3=CC(O)=CC(O)=C3)C=C2)C(O)C1O5678.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Piceatannol 4'-galloylglucoside,1TMS,isomer #1C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C(O)C1O5510.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)=CC(O)=C1O5540.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)C=C1O5475.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TMS,isomer #4C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O5527.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C(O)=C2)=C15576.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TMS,isomer #6C[Si](C)(C)OC1C(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O5520.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TMS,isomer #7C[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C1O5514.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #1C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5428.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #10C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5420.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5467.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5363.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O)C3O)C(O)=C2)=C15383.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #14C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O5414.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #15C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O)C=C1O5385.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #16C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O)C=C1O5366.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #17C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15482.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #18C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O5450.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #19C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C5459.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #2C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O[Si](C)(C)C)C=C1O5375.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #20C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15483.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #21C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=C15443.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #22C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15464.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #23C[Si](C)(C)OC1C(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C5435.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=C15448.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #4C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O5445.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #5C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C(O[Si](C)(C)C)C1O5446.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #6C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C(O)C1O[Si](C)(C)C5432.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=C15452.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #8C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O5462.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TMS,isomer #9C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O5445.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #1C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=C15247.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #10C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O5219.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #11C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15310.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #12C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C2)=C15311.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #13C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15343.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #14C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15343.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #15C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5357.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #16C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5371.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #17C[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5389.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #18C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15237.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #19C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=C15267.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #2C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O5299.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=C15174.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #21C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=C15198.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #22C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15272.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #23C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15300.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #24C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O5326.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #25C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O5251.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #26C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O5280.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #27C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C5325.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #28C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O5276.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #29C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O5299.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #3C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O5293.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #30C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O)=C1O[Si](C)(C)C5232.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O5236.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #32C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C5165.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5258.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #34C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15188.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #35C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=C15144.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #36C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15188.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #37C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15226.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #38C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O5214.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #39C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C5277.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #4C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O5264.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #40C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O5231.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #41C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C15352.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #42C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=C2)=C15325.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #43C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C15368.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #44C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5364.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #45C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15268.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #46C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C15338.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #47C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)=C15322.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #5C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5273.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5206.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #7C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=C15176.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #8C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O5251.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,3TMS,isomer #9C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O5244.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #1C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15072.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #10C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5226.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O5212.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5175.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5123.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #14C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O5144.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #15C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC(O)=C1O[Si](C)(C)C5087.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #16C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5128.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #17C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15056.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #18C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C2)=C15061.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #19C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15081.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #2C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=C15102.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #20C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15072.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #21C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5126.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #22C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C5156.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #23C[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O5146.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #24C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15168.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #25C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C15219.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #26C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C15224.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #27C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)=C15267.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #28C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=C2)=C15245.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #29C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C15286.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #3C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O)=C2)=C15039.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #30C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C5319.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #31C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15097.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #32C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15029.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #33C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15028.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #34C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C15090.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #35C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C15099.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #36C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=C15083.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #37C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=C15063.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #38C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15118.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #39C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15135.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #4C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)=C2)=C15101.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #40C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=C14998.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #41C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15056.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #42C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15060.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #43C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)=C15109.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #44C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=C2)=C15091.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #45C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C15175.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #46C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O5158.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #47C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O5128.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #48C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C5207.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #49C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O5060.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #5C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)=C2)=C15141.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #50C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O)C(O)C1O[Si](C)(C)C5140.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #51C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5207.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #52C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O5152.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #53C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC(O)=C1O[Si](C)(C)C5097.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #54C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C)C(O)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5150.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #55C[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C)C2O)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5075.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #56C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O)=C2)=CC(O[Si](C)(C)C)=C15043.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #57C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C15050.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #58C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C15059.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #59C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)=C15063.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #6C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)=C2)=C15145.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #60C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=C2)=C15032.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #61C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C15091.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #62C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C5136.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #63C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C15166.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #64C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC(O[Si](C)(C)C)=C15256.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #65C[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C15261.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #66C[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)=C2)=CC(O[Si](C)(C)C)=C15181.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #7C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O5177.4Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #8C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O)C1O5113.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,4TMS,isomer #9C[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O5197.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C(O)C1O5812.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)=CC(O)=C1O5816.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)C=C1O5793.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O5804.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C(O)=C2)=C15830.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O5826.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1C(O)C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C1O5821.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC(O)=C1O5932.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC(O)=C1O5936.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)=CC(O[Si](C)(C)C(C)(C)C)=C1O5957.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O)=CC(O)=C1O[Si](C)(C)C(C)(C)C5878.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)C(O)C(O)C3O)C(O)=C2)=C15879.8Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(O)C(O)C1O5919.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O5909.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O5892.5Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)=C2)=C15965.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5976.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5997.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O5889.1Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C15961.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)=C2)=C15951.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)=C2)=C15981.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1C(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C5984.0Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O)=C4)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)=C2)=C15949.6Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5963.3Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C(O[Si](C)(C)C(C)(C)C)C1O5984.7Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1C(COC(=O)C2=CC(O)=C(O)C(O)=C2)OC(OC2=CC=C(/C=C\C3=CC(O)=CC(O)=C3)C=C2O)C(O)C1O[Si](C)(C)C(C)(C)C5966.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(O)=CC(/C=C\C2=CC=C(OC3OC(COC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)C(O)C(O)C3O)C(O)=C2)=C15932.9Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(/C=C\C2=CC(O)=CC(O)=C2)=CC=C1OC1OC(COC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(O)C(O)C1O5955.2Semi standard non polar33892256
Piceatannol 4'-galloylglucoside,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OCC2OC(OC3=CC=C(/C=C\C4=CC(O)=CC(O)=C4)C=C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC(O)=C1O5961.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udl-4977030000-a66a71d22fc8c3837a292017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (1 TMS) - 70eV, Positivesplash10-0w29-3934303000-0fe1b103b631f18d57722017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS ("Piceatannol 4'-galloylglucoside,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Piceatannol 4'-galloylglucoside GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 10V, Positive-QTOFsplash10-0002-0492040000-cda74aaf1f196aa303102017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 20V, Positive-QTOFsplash10-0002-0690000000-a84145cffa0997ef1a3f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 40V, Positive-QTOFsplash10-0fi1-0930000000-54c80425d3902c95044e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 10V, Negative-QTOFsplash10-066u-0962050000-d9cd26d38376a58ecbd72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 20V, Negative-QTOFsplash10-00mo-0970010000-65c18b7f4372586a7c6e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 40V, Negative-QTOFsplash10-00mo-0890000000-5652b1688d00353c169e2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 10V, Negative-QTOFsplash10-0a4i-0120090000-2214fbbea7f0198ca9ed2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 20V, Negative-QTOFsplash10-007c-0779060000-e07b0f0fa882a7fd10852021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 40V, Negative-QTOFsplash10-00p3-0940100000-8fd55f25c08b6bc211af2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 10V, Positive-QTOFsplash10-0002-0290000000-9c33b3858d0c5394e4762021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 20V, Positive-QTOFsplash10-004i-0491020000-7cad740426064efd2cdd2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Piceatannol 4'-galloylglucoside 40V, Positive-QTOFsplash10-004j-0980010000-df2b78199ccbd0e9a27a2021-09-25Wishart 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 IDFDB020690
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752958
PDB IDNot Available
ChEBI ID176048
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.. .