Hmdb loader

Showing metabocard for Goshonoside F5 (HMDB0038541)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:51:52 UTC
Update Date2022-03-07 02:55:48 UTC
HMDB IDHMDB0038541
Secondary Accession Numbers
  • HMDB38541
Metabolite Identification
Common NameGoshonoside F5
DescriptionGoshonoside F5 belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Based on a literature review a significant number of articles have been published on Goshonoside F5.
Structure
Data?1563863214
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0038541 (Goshonoside F5)


  Mrv0541 05061310312D          

 45 48  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -1.0445    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    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    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -4.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027   -1.0445    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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5989   -3.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4114   -3.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6936   -2.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1633   -2.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   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
    4.8471   -5.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -4.3477    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
    6.5060   -2.7972    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
    5.4454   -1.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205   -1.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0686   -3.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 16  1  1  0  0  0  0
 16  5  1  0  0  0  0
 16 10  2  0  0  0  0
 17  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31  3  1  0  0  0  0
 31 11  1  0  0  0  0
 31 18  1  0  0  0  0
 31 21  1  0  0  0  0
 32  4  1  0  0  0  0
 32 15  1  0  0  0  0
 32 21  1  0  0  0  0
 32 22  1  0  0  0  0
 33 13  1  0  0  0  0
 34 14  1  0  0  0  0
 35 22  1  0  0  0  0
 36 23  1  0  0  0  0
 37 24  1  0  0  0  0
 38 25  1  0  0  0  0
 39 26  1  0  0  0  0
 40 27  1  0  0  0  0
 41 28  1  0  0  0  0
 42 12  1  0  0  0  0
 42 29  1  0  0  0  0
 43 15  1  0  0  0  0
 43 30  1  0  0  0  0
 44 19  1  0  0  0  0
 44 29  1  0  0  0  0
 45 20  1  0  0  0  0
 45 30  1  0  0  0  0
M  END
Download

3D MOL for HMDB0038541 (Goshonoside F5)

HMDB0038541
     RDKit          3D
Goshonoside F5
 99102  0  0  0  0  0  0  0  0999 V2000
    0.5322   -4.8821    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318   -3.8949    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429   -3.7708    1.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548   -3.6616    1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948   -2.7033    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669   -2.5654    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0518   -3.8955    0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8104   -1.6180    1.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3245   -0.4238    1.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2569    0.6522    0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9350    1.1361    0.6502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039    1.9759   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5905    2.3611   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165    3.2104   -1.9754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7533    3.2569   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7850    4.0516   -1.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1340    2.8756    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6587    4.0479    0.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9548    1.8819    1.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0944    2.4683    2.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9532   -2.1858   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1352   -1.4510   -0.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0548   -1.6508   -1.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -1.6907   -1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251   -2.8908   -0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5899   -4.1216   -1.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168   -2.8872   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857   -1.5531   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -1.7954   -0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2004   -0.5614   -0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986    0.5328   -1.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.3781    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8707    0.8855    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236    0.5217    0.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0668    1.6275    0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496    1.6837   -0.5517 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    2.7303   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5469    3.5469   -1.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2516    4.0472   -1.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5477    3.6472    0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820    4.6013    0.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6303    2.9208    1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8939    3.6668    2.8993 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425    1.5802    1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8460    0.5166    1.7978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722   -4.9702   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7774   -5.5894    0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603   -4.6477    2.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5118   -2.8742    2.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -3.2942    2.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317   -4.6831    1.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066   -1.6959    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -4.7728    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1015   -3.9626    1.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0909   -3.8314    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7358   -2.1617    2.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -1.6526    1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037    0.5825   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477    1.5187   -1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802    2.9485    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    1.4797   -1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.0879   -1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    3.7867    0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289    3.8334   -1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7937    2.5174   -0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6149    4.1550    0.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9424    1.6397    1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6027    2.8867    3.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436   -3.1723   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7086   -1.5918   -1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2223   -2.1310   -2.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091   -0.5728   -2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0467   -1.7082   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2731   -0.7356   -1.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967   -5.0376   -0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -4.3784   -2.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3925   -3.9973   -2.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519   -3.2806   -1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632   -0.9928    0.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.9633   -1.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054   -2.3098   -1.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   -2.5278    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033    0.2667   -2.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    0.6968   -2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    1.4798   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654   -1.1456    1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    1.6023   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7366    1.3653    1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4352    2.5311    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    2.3412   -0.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.4551   -1.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8318    2.9666   -2.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7722    3.7487   -2.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5973    4.1943    0.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    4.2304    1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8163    2.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3607    3.6083    3.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2821    1.3820    2.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3019   -0.2851    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  6 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 27  2  1  0
 44 35  1  0
 25  5  1  0
 19 10  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
  3 49  1  0
  4 50  1  0
  4 51  1  0
  5 52  1  0
  7 53  1  0
  7 54  1  0
  7 55  1  0
  8 56  1  0
  8 57  1  0
 10 58  1  0
 12 59  1  0
 13 60  1  0
 13 61  1  0
 14 62  1  0
 15 63  1  0
 16 64  1  0
 17 65  1  0
 18 66  1  0
 19 67  1  0
 20 68  1  0
 21 69  1  0
 22 70  1  0
 23 71  1  0
 23 72  1  0
 24 73  1  0
 24 74  1  0
 26 75  1  0
 26 76  1  0
 26 77  1  0
 27 78  1  0
 28 79  1  0
 28 80  1  0
 29 81  1  0
 29 82  1  0
 31 83  1  0
 31 84  1  0
 31 85  1  0
 32 86  1  0
 33 87  1  0
 33 88  1  0
 35 89  1  0
 37 90  1  0
 38 91  1  0
 38 92  1  0
 39 93  1  0
 40 94  1  0
 41 95  1  0
 42 96  1  0
 43 97  1  0
 44 98  1  0
 45 99  1  0
M  END
Download

3D SDF for HMDB0038541 (Goshonoside F5)


  Mrv0541 05061310312D          

 45 48  0  0  0  0            999 V2000
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -1.0445    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    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    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    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168   -4.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027   -1.0445    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
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5989   -3.8590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4114   -3.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6936   -2.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1633   -2.3085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3508   -2.4517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   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
    4.8471   -5.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9417   -4.3477    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
    6.5060   -2.7972    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
    5.4454   -1.5332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8205   -1.8197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0686   -3.2270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 16  1  1  0  0  0  0
 16  5  1  0  0  0  0
 16 10  2  0  0  0  0
 17  2  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 19  1  0  0  0  0
 24 20  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 28 26  1  0  0  0  0
 29 27  1  0  0  0  0
 30 28  1  0  0  0  0
 31  3  1  0  0  0  0
 31 11  1  0  0  0  0
 31 18  1  0  0  0  0
 31 21  1  0  0  0  0
 32  4  1  0  0  0  0
 32 15  1  0  0  0  0
 32 21  1  0  0  0  0
 32 22  1  0  0  0  0
 33 13  1  0  0  0  0
 34 14  1  0  0  0  0
 35 22  1  0  0  0  0
 36 23  1  0  0  0  0
 37 24  1  0  0  0  0
 38 25  1  0  0  0  0
 39 26  1  0  0  0  0
 40 27  1  0  0  0  0
 41 28  1  0  0  0  0
 42 12  1  0  0  0  0
 42 29  1  0  0  0  0
 43 15  1  0  0  0  0
 43 30  1  0  0  0  0
 44 19  1  0  0  0  0
 44 29  1  0  0  0  0
 45 20  1  0  0  0  0
 45 30  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038541

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C32H54O13/c1-16(10-12-42-29-27(40)25(38)23(36)19(13-33)44-29)5-7-18-17(2)6-8-21-31(18,3)11-9-22(35)32(21,4)15-43-30-28(41)26(39)24(37)20(14-34)45-30/h10,18-30,33-41H,2,5-9,11-15H2,1,3-4H3/b16-10+

> <INCHI_KEY>
QIOMMMCQFIBVKA-MHWRWJLKSA-N

> <FORMULA>
C32H54O13

> <MOLECULAR_WEIGHT>
646.7634

> <EXACT_MASS>
646.356441814

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
69.6439903009477

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({2-hydroxy-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-decahydronaphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.44

> <JCHEM_LOGP>
-0.8939430686666677

> <ALOGPS_LOGS>
-2.93

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.430808313340098

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.909710908915448

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083413100513

> <JCHEM_POLAR_SURFACE_AREA>
218.98999999999995

> <JCHEM_REFRACTIVITY>
160.17060000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.58e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({2-hydroxy-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0038541 (Goshonoside F5)

HMDB0038541
     RDKit          3D
Goshonoside F5
 99102  0  0  0  0  0  0  0  0999 V2000
    0.5322   -4.8821    0.0395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3318   -3.8949    0.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9429   -3.7708    1.6492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4548   -3.6616    1.5719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8948   -2.7033    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3669   -2.5654    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0518   -3.8955    0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8104   -1.6180    1.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3245   -0.4238    1.5954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2569    0.6522    0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9350    1.1361    0.6502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039    1.9759   -0.4471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5905    2.3611   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7165    3.2104   -1.9754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7533    3.2569   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7850    4.0516   -1.2459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1340    2.8756    0.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6587    4.0479    0.9638 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9548    1.8819    1.4973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0944    2.4683    2.4243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9532   -2.1858   -0.8812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1352   -1.4510   -0.8402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0548   -1.6508   -1.9299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6035   -1.6907   -1.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2251   -2.8908   -0.8137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5899   -4.1216   -1.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7168   -2.8872   -0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0857   -1.5531   -0.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4331   -1.7954   -0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2004   -0.5614   -0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9986    0.5328   -1.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0828   -0.3781    0.4707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8707    0.8855    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2236    0.5217    0.5079 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0668    1.6275    0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496    1.6837   -0.5517 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7456    2.7303   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5469    3.5469   -1.7949 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2516    4.0472   -1.8578 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5477    3.6472    0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5820    4.6013    0.5926 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6303    2.9208    1.9540 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8939    3.6668    2.8993 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9425    1.5802    1.8255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8460    0.5166    1.7978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9722   -4.9702   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7774   -5.5894    0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6603   -4.6477    2.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5118   -2.8742    2.1624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7719   -3.2942    2.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317   -4.6831    1.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5066   -1.6959    0.8669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5828   -4.7728    0.4611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1015   -3.9626    1.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0909   -3.8314    0.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7358   -2.1617    2.5088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9675   -1.6526    1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7037    0.5825   -0.1261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5477    1.5187   -1.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1802    2.9485    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852    1.4797   -1.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.0879   -1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2584    3.7867    0.7174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289    3.8334   -1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7937    2.5174   -0.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6149    4.1550    0.7273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9424    1.6397    1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6027    2.8867    3.1615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3436   -3.1723   -1.3436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7086   -1.5918   -1.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2223   -2.1310   -2.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3091   -0.5728   -2.1678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0467   -1.7082   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2731   -0.7356   -1.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6967   -5.0376   -0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6907   -4.3784   -2.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3925   -3.9973   -2.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519   -3.2806   -1.7043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3632   -0.9928    0.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069   -0.9633   -1.4576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6054   -2.3098   -1.5931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400   -2.5278    0.1911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2033    0.2667   -2.2201 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9232    0.6968   -2.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6738    1.4798   -1.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2654   -1.1456    1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6530    1.6023   -0.1909 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7366    1.3653    1.5919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4352    2.5311    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7952    2.3412   -0.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    4.4551   -1.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8318    2.9666   -2.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7722    3.7487   -2.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5973    4.1943    0.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4104    4.2304    1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8163    2.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3607    3.6083    3.7706 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2821    1.3820    2.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3019   -0.2851    1.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
  6 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  1  0
 27  2  1  0
 44 35  1  0
 25  5  1  0
 19 10  1  0
  1 46  1  0
  1 47  1  0
  3 48  1  0
  3 49  1  0
  4 50  1  0
  4 51  1  0
  5 52  1  0
  7 53  1  0
  7 54  1  0
  7 55  1  0
  8 56  1  0
  8 57  1  0
 10 58  1  0
 12 59  1  0
 13 60  1  0
 13 61  1  0
 14 62  1  0
 15 63  1  0
 16 64  1  0
 17 65  1  0
 18 66  1  0
 19 67  1  0
 20 68  1  0
 21 69  1  0
 22 70  1  0
 23 71  1  0
 23 72  1  0
 24 73  1  0
 24 74  1  0
 26 75  1  0
 26 76  1  0
 26 77  1  0
 27 78  1  0
 28 79  1  0
 28 80  1  0
 29 81  1  0
 29 82  1  0
 31 83  1  0
 31 84  1  0
 31 85  1  0
 32 86  1  0
 33 87  1  0
 33 88  1  0
 35 89  1  0
 37 90  1  0
 38 91  1  0
 38 92  1  0
 39 93  1  0
 40 94  1  0
 41 95  1  0
 42 96  1  0
 43 97  1  0
 44 98  1  0
 45 99  1  0
M  END
Download

PDB for HMDB0038541 (Goshonoside F5)

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       1.334   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.679  -1.950   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002  13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.058  -8.651   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.658  -1.950   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       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.585  -7.203   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335  13.860   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.101  -6.936   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.628  -5.489   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.638  -4.309   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.121  -4.577   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       8.002  15.400   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       9.048  -9.830   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       5.335  15.400   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      11.091  -8.116   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      12.145  -5.221   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
HETATM   41  O   UNK     0      10.165  -2.862   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       5.335   9.240   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       7.132  -3.397   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       6.668  11.550   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       7.595  -6.024   0.000  0.00  0.00           O+0
CONECT    1   16                                                            
CONECT    2   17                                                            
CONECT    3   31                                                            
CONECT    4   32                                                            
CONECT    5    7   16                                                       
CONECT    6    8   17                                                       
CONECT    7    5   18                                                       
CONECT    8    6   21                                                       
CONECT    9   11   22                                                       
CONECT   10   12   16                                                       
CONECT   11    9   31                                                       
CONECT   12   10   42                                                       
CONECT   13   19   33                                                       
CONECT   14   20   34                                                       
CONECT   15   32   43                                                       
CONECT   16    1    5   10                                                  
CONECT   17    2    6   18                                                  
CONECT   18    7   17   31                                                  
CONECT   19   13   23   44                                                  
CONECT   20   14   24   45                                                  
CONECT   21    8   31   32                                                  
CONECT   22    9   32   35                                                  
CONECT   23   19   25   36                                                  
CONECT   24   20   26   37                                                  
CONECT   25   23   27   38                                                  
CONECT   26   24   28   39                                                  
CONECT   27   25   29   40                                                  
CONECT   28   26   30   41                                                  
CONECT   29   27   42   44                                                  
CONECT   30   28   43   45                                                  
CONECT   31    3   11   18   21                                             
CONECT   32    4   15   21   22                                             
CONECT   33   13                                                            
CONECT   34   14                                                            
CONECT   35   22                                                            
CONECT   36   23                                                            
CONECT   37   24                                                            
CONECT   38   25                                                            
CONECT   39   26                                                            
CONECT   40   27                                                            
CONECT   41   28                                                            
CONECT   42   12   29                                                       
CONECT   43   15   30                                                       
CONECT   44   19   29                                                       
CONECT   45   20   30                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END
Download

3D PDB for HMDB0038541 (Goshonoside F5)

COMPND    HMDB0038541
HETATM    1  C1  UNL     1       0.532  -4.882   0.039  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.332  -3.895   0.309  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.943  -3.771   1.649  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.455  -3.662   1.572  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.895  -2.703   0.510  1.00  0.00           C  
HETATM    6  C6  UNL     1      -4.367  -2.565   0.406  1.00  0.00           C  
HETATM    7  C7  UNL     1      -5.052  -3.895   0.869  1.00  0.00           C  
HETATM    8  C8  UNL     1      -4.810  -1.618   1.504  1.00  0.00           C  
HETATM    9  O1  UNL     1      -4.325  -0.424   1.595  1.00  0.00           O  
HETATM   10  C9  UNL     1      -4.257   0.652   0.877  1.00  0.00           C  
HETATM   11  O2  UNL     1      -2.935   1.136   0.650  1.00  0.00           O  
HETATM   12  C10 UNL     1      -3.004   1.976  -0.447  1.00  0.00           C  
HETATM   13  C11 UNL     1      -1.590   2.361  -0.864  1.00  0.00           C  
HETATM   14  O3  UNL     1      -1.717   3.210  -1.975  1.00  0.00           O  
HETATM   15  C12 UNL     1      -3.753   3.257  -0.119  1.00  0.00           C  
HETATM   16  O4  UNL     1      -3.785   4.052  -1.246  1.00  0.00           O  
HETATM   17  C13 UNL     1      -5.134   2.876   0.373  1.00  0.00           C  
HETATM   18  O5  UNL     1      -5.659   4.048   0.964  1.00  0.00           O  
HETATM   19  C14 UNL     1      -4.955   1.882   1.497  1.00  0.00           C  
HETATM   20  O6  UNL     1      -4.094   2.468   2.424  1.00  0.00           O  
HETATM   21  C15 UNL     1      -4.953  -2.186  -0.881  1.00  0.00           C  
HETATM   22  O7  UNL     1      -6.135  -1.451  -0.840  1.00  0.00           O  
HETATM   23  C16 UNL     1      -4.055  -1.651  -1.930  1.00  0.00           C  
HETATM   24  C17 UNL     1      -2.604  -1.691  -1.652  1.00  0.00           C  
HETATM   25  C18 UNL     1      -2.225  -2.891  -0.814  1.00  0.00           C  
HETATM   26  C19 UNL     1      -2.590  -4.122  -1.575  1.00  0.00           C  
HETATM   27  C20 UNL     1      -0.717  -2.887  -0.705  1.00  0.00           C  
HETATM   28  C21 UNL     1      -0.086  -1.553  -0.540  1.00  0.00           C  
HETATM   29  C22 UNL     1       1.433  -1.795  -0.626  1.00  0.00           C  
HETATM   30  C23 UNL     1       2.200  -0.561  -0.502  1.00  0.00           C  
HETATM   31  C24 UNL     1       1.999   0.533  -1.488  1.00  0.00           C  
HETATM   32  C25 UNL     1       3.083  -0.378   0.471  1.00  0.00           C  
HETATM   33  C26 UNL     1       3.871   0.886   0.600  1.00  0.00           C  
HETATM   34  O8  UNL     1       5.224   0.522   0.508  1.00  0.00           O  
HETATM   35  C27 UNL     1       6.067   1.627   0.594  1.00  0.00           C  
HETATM   36  O9  UNL     1       6.850   1.684  -0.552  1.00  0.00           O  
HETATM   37  C28 UNL     1       7.746   2.730  -0.538  1.00  0.00           C  
HETATM   38  C29 UNL     1       7.547   3.547  -1.795  1.00  0.00           C  
HETATM   39  O10 UNL     1       6.252   4.047  -1.858  1.00  0.00           O  
HETATM   40  C30 UNL     1       7.548   3.647   0.647  1.00  0.00           C  
HETATM   41  O11 UNL     1       8.582   4.601   0.593  1.00  0.00           O  
HETATM   42  C31 UNL     1       7.630   2.921   1.954  1.00  0.00           C  
HETATM   43  O12 UNL     1       6.894   3.667   2.899  1.00  0.00           O  
HETATM   44  C32 UNL     1       6.942   1.580   1.826  1.00  0.00           C  
HETATM   45  O13 UNL     1       7.846   0.517   1.798  1.00  0.00           O  
HETATM   46  H1  UNL     1       0.972  -4.970  -0.927  1.00  0.00           H  
HETATM   47  H2  UNL     1       0.777  -5.589   0.819  1.00  0.00           H  
HETATM   48  H3  UNL     1      -0.660  -4.648   2.264  1.00  0.00           H  
HETATM   49  H4  UNL     1      -0.512  -2.874   2.162  1.00  0.00           H  
HETATM   50  H5  UNL     1      -2.772  -3.294   2.569  1.00  0.00           H  
HETATM   51  H6  UNL     1      -2.832  -4.683   1.475  1.00  0.00           H  
HETATM   52  H7  UNL     1      -2.507  -1.696   0.867  1.00  0.00           H  
HETATM   53  H8  UNL     1      -4.583  -4.773   0.461  1.00  0.00           H  
HETATM   54  H9  UNL     1      -5.101  -3.963   1.956  1.00  0.00           H  
HETATM   55  H10 UNL     1      -6.091  -3.831   0.484  1.00  0.00           H  
HETATM   56  H11 UNL     1      -4.736  -2.162   2.509  1.00  0.00           H  
HETATM   57  H12 UNL     1      -5.968  -1.653   1.381  1.00  0.00           H  
HETATM   58  H13 UNL     1      -4.704   0.583  -0.126  1.00  0.00           H  
HETATM   59  H14 UNL     1      -3.548   1.519  -1.298  1.00  0.00           H  
HETATM   60  H15 UNL     1      -1.180   2.948   0.008  1.00  0.00           H  
HETATM   61  H16 UNL     1      -0.985   1.480  -1.092  1.00  0.00           H  
HETATM   62  H17 UNL     1      -1.322   4.088  -1.749  1.00  0.00           H  
HETATM   63  H18 UNL     1      -3.258   3.787   0.717  1.00  0.00           H  
HETATM   64  H19 UNL     1      -4.529   3.833  -1.862  1.00  0.00           H  
HETATM   65  H20 UNL     1      -5.794   2.517  -0.417  1.00  0.00           H  
HETATM   66  H21 UNL     1      -6.615   4.155   0.727  1.00  0.00           H  
HETATM   67  H22 UNL     1      -5.942   1.640   1.889  1.00  0.00           H  
HETATM   68  H23 UNL     1      -4.603   2.887   3.161  1.00  0.00           H  
HETATM   69  H24 UNL     1      -5.344  -3.172  -1.344  1.00  0.00           H  
HETATM   70  H25 UNL     1      -6.709  -1.592  -1.624  1.00  0.00           H  
HETATM   71  H26 UNL     1      -4.222  -2.131  -2.942  1.00  0.00           H  
HETATM   72  H27 UNL     1      -4.309  -0.573  -2.168  1.00  0.00           H  
HETATM   73  H28 UNL     1      -2.047  -1.708  -2.621  1.00  0.00           H  
HETATM   74  H29 UNL     1      -2.273  -0.736  -1.170  1.00  0.00           H  
HETATM   75  H30 UNL     1      -2.697  -5.038  -0.951  1.00  0.00           H  
HETATM   76  H31 UNL     1      -1.691  -4.378  -2.224  1.00  0.00           H  
HETATM   77  H32 UNL     1      -3.392  -3.997  -2.329  1.00  0.00           H  
HETATM   78  H33 UNL     1      -0.352  -3.281  -1.704  1.00  0.00           H  
HETATM   79  H34 UNL     1      -0.363  -0.993   0.351  1.00  0.00           H  
HETATM   80  H35 UNL     1      -0.307  -0.963  -1.458  1.00  0.00           H  
HETATM   81  H36 UNL     1       1.605  -2.310  -1.593  1.00  0.00           H  
HETATM   82  H37 UNL     1       1.640  -2.528   0.191  1.00  0.00           H  
HETATM   83  H38 UNL     1       1.203   0.267  -2.220  1.00  0.00           H  
HETATM   84  H39 UNL     1       2.923   0.697  -2.107  1.00  0.00           H  
HETATM   85  H40 UNL     1       1.674   1.480  -1.000  1.00  0.00           H  
HETATM   86  H41 UNL     1       3.265  -1.146   1.214  1.00  0.00           H  
HETATM   87  H42 UNL     1       3.653   1.602  -0.191  1.00  0.00           H  
HETATM   88  H43 UNL     1       3.737   1.365   1.592  1.00  0.00           H  
HETATM   89  H44 UNL     1       5.435   2.531   0.707  1.00  0.00           H  
HETATM   90  H45 UNL     1       8.795   2.341  -0.579  1.00  0.00           H  
HETATM   91  H46 UNL     1       8.215   4.455  -1.739  1.00  0.00           H  
HETATM   92  H47 UNL     1       7.832   2.967  -2.696  1.00  0.00           H  
HETATM   93  H48 UNL     1       5.772   3.749  -2.672  1.00  0.00           H  
HETATM   94  H49 UNL     1       6.597   4.194   0.511  1.00  0.00           H  
HETATM   95  H50 UNL     1       9.410   4.230   1.020  1.00  0.00           H  
HETATM   96  H51 UNL     1       8.675   2.816   2.321  1.00  0.00           H  
HETATM   97  H52 UNL     1       7.361   3.608   3.771  1.00  0.00           H  
HETATM   98  H53 UNL     1       6.282   1.382   2.721  1.00  0.00           H  
HETATM   99  H54 UNL     1       7.302  -0.285   1.548  1.00  0.00           H  
CONECT    1    2    2   46   47
CONECT    2    3   27
CONECT    3    4   48   49
CONECT    4    5   50   51
CONECT    5    6   25   52
CONECT    6    7    8   21
CONECT    7   53   54   55
CONECT    8    9   56   57
CONECT    9   10
CONECT   10   11   19   58
CONECT   11   12
CONECT   12   13   15   59
CONECT   13   14   60   61
CONECT   14   62
CONECT   15   16   17   63
CONECT   16   64
CONECT   17   18   19   65
CONECT   18   66
CONECT   19   20   67
CONECT   20   68
CONECT   21   22   23   69
CONECT   22   70
CONECT   23   24   71   72
CONECT   24   25   73   74
CONECT   25   26   27
CONECT   26   75   76   77
CONECT   27   28   78
CONECT   28   29   79   80
CONECT   29   30   81   82
CONECT   30   31   32   32
CONECT   31   83   84   85
CONECT   32   33   86
CONECT   33   34   87   88
CONECT   34   35
CONECT   35   36   44   89
CONECT   36   37
CONECT   37   38   40   90
CONECT   38   39   91   92
CONECT   39   93
CONECT   40   41   42   94
CONECT   41   95
CONECT   42   43   44   96
CONECT   43   97
CONECT   44   45   98
CONECT   45   99
END
Download

SMILES for HMDB0038541 (Goshonoside F5)

C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O
Download

INCHI for HMDB0038541 (Goshonoside F5)

InChI=1S/C32H54O13/c1-16(10-12-42-29-27(40)25(38)23(36)19(13-33)44-29)5-7-18-17(2)6-8-21-31(18,3)11-9-22(35)32(21,4)15-43-30-28(41)26(39)24(37)20(14-34)45-30/h10,18-30,33-41H,2,5-9,11-15H2,1,3-4H3/b16-10+
Download
View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC32H54O13
Average Molecular Weight646.7634
Monoisotopic Molecular Weight646.356441814
IUPAC Name2-({2-hydroxy-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-decahydronaphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Name2-({2-hydroxy-1,4a-dimethyl-5-[(3E)-3-methyl-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-3-en-1-yl]-6-methylidene-hexahydro-2H-naphthalen-1-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
CAS Registry Number90851-28-8
SMILES
C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C32H54O13/c1-16(10-12-42-29-27(40)25(38)23(36)19(13-33)44-29)5-7-18-17(2)6-8-21-31(18,3)11-9-22(35)32(21,4)15-43-30-28(41)26(39)24(37)20(14-34)45-30/h10,18-30,33-41H,2,5-9,11-15H2,1,3-4H3/b16-10+
InChI KeyQIOMMMCQFIBVKA-MHWRWJLKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTerpene glycosides
Direct ParentDiterpene glycosides
Alternative Parents
Substituents
  • Diterpene glycoside
  • Labdane diterpenoid
  • Diterpenoid
  • Fatty acyl glycoside
  • Fatty acyl glycoside of mono- or disaccharide
  • Alkyl glycoside
  • Glycosyl compound
  • O-glycosyl compound
  • Fatty acyl
  • Monosaccharide
  • Oxane
  • Cyclic alcohol
  • Secondary alcohol
  • Organoheterocyclic compound
  • Acetal
  • Oxacycle
  • Polyol
  • Alcohol
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Organooxygen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility74.76 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.76 g/LALOGPS
logP-0.44ALOGPS
logP-0.89ChemAxon
logS-2.9ALOGPS
pKa (Strongest Acidic)11.91ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area218.99 ŲChemAxon
Rotatable Bond Count11ChemAxon
Refractivity160.17 m³·mol⁻¹ChemAxon
Polarizability69.64 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]+244.64831661259
DarkChem[M-H]-229.65331661259
DeepCCS[M-2H]-274.930932474
DeepCCS[M+Na]+250.19930932474
AllCCS[M+H]+248.432859911
AllCCS[M+H-H2O]+247.732859911
AllCCS[M+NH4]+249.032859911
AllCCS[M+Na]+249.132859911
AllCCS[M-H]-234.832859911
AllCCS[M+Na-2H]-238.732859911
AllCCS[M+HCOO]-243.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Goshonoside F5C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O3254.4Standard polar33892256
Goshonoside F5C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O4517.3Standard non polar33892256
Goshonoside F5C\C(CCC1C(=C)CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC12C)=C/COC1OC(CO)C(O)C(O)C1O5088.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Goshonoside F5,1TMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5091.6Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #2C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5111.6Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #3C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5076.1Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #4C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5088.6Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #5C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5134.1Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #6C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O5091.2Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #7C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O5111.1Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #8C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O5079.2Semi standard non polar33892256
Goshonoside F5,1TMS,isomer #9C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C5095.2Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4993.6Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #10C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4967.1Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #11C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5017.2Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #12C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4987.4Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #13C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O5003.4Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #14C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4959.8Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #15C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4980.9Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #16C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4983.2Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #17C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4962.5Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #18C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4937.4Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #19C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4955.8Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #2C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4952.8Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #20C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4912.1Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #21C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4931.3Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #22C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4982.7Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #23C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4957.2Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #24C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4972.0Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #25C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4926.0Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #26C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4961.2Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #27C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O5000.7Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #28C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O5017.2Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #29C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4966.1Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #3C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4976.9Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #30C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4991.1Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #31C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4994.4Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #32C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4957.2Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #33C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4985.8Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #34C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4979.7Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #35C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4977.3Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #36C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4999.1Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #4C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5000.8Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #5C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4981.9Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #6C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4986.9Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #7C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4939.7Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #8C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4965.4Semi standard non polar33892256
Goshonoside F5,2TMS,isomer #9C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4975.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4859.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #10C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4828.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #11C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4838.3Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #12C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4781.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #13C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4813.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #14C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4858.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #15C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4861.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #16C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4873.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #17C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4814.5Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #18C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4855.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #19C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4851.5Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #2C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4864.5Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #20C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4867.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #21C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4807.3Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #22C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4838.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #23C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4880.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #24C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4830.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #25C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4870.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #26C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4841.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #27C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4847.4Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #28C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4852.4Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #29C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4883.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #3C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4876.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #30C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4843.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #31C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4838.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #32C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4858.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #33C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4805.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #34C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4838.4Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #35C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4845.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #36C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4838.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #37C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4859.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #38C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4807.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #39C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4839.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #4C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4878.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #40C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4866.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #41C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4883.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #42C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4826.5Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #43C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4859.3Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #44C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4889.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #45C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4841.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #46C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4881.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #47C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4862.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #48C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4867.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #49C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4876.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #5C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4889.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #50C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4853.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #51C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4843.5Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #52C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4866.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #53C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4813.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #54C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4847.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #55C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4805.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #56C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4823.4Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #57C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4773.4Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #58C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4800.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #59C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4830.3Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #6C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4831.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #60C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4781.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #61C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4819.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #62C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4804.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #63C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4813.3Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #64C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4819.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #65C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O4832.5Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #66C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O4852.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #67C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O4797.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #68C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4829.4Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #69C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4862.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #7C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C4867.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #70C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4810.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #71C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4856.9Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #72C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4832.8Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #73C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4841.6Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #74C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4848.3Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #75C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O4877.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #76C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O4828.5Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #77C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C4865.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #78C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4843.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #79C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4853.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #8C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4868.2Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #80C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4863.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #81C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O4863.7Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #82C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C4874.0Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #83C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C4879.1Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #84C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C4898.3Semi standard non polar33892256
Goshonoside F5,3TMS,isomer #9C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O4826.8Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5289.2Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #2C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5339.9Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #3C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5306.2Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #4C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5316.5Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #5C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5334.7Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #6C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5288.6Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #7C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5339.3Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #8C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5308.4Semi standard non polar33892256
Goshonoside F5,1TBDMS,isomer #9C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5325.6Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #1C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5421.0Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #10C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5430.1Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #11C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5458.5Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #12C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5414.4Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #13C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5461.0Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #14C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5417.0Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #15C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5434.0Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #16C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5441.5Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #17C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5407.5Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #18C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5370.2Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #19C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5412.2Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #2C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5387.9Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #20C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5371.3Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #21C=C1CCC2C(C)(COC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5381.3Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #22C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5423.6Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #23C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5377.8Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #24C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5425.5Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #25C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5377.2Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #26C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5397.7Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #27C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5403.1Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #28C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5457.1Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #29C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5408.3Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #3C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5402.5Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #30C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5428.8Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #31C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5420.5Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #32C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5392.7Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #33C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5412.3Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #34C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O5433.8Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #35C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C5438.1Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #36C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C5450.8Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #4C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5404.2Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #5C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O5370.1Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #6C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O5414.9Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #7C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O5374.5Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #8C=C1CCC2C(C)(COC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C5387.7Semi standard non polar33892256
Goshonoside F5,2TBDMS,isomer #9C=C1CCC2C(C)(COC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)CCC2(C)C1CC/C(C)=C/COC1OC(CO)C(O)C(O)C1O5429.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (Non-derivatized) - 70eV, Positivesplash10-00p0-3411259000-409f4b2f56e358082a772017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Goshonoside F5 GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 10V, Positive-QTOFsplash10-00os-0010809000-943e1f9837391e718b432016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 20V, Positive-QTOFsplash10-014i-0123901000-188c3ba746c0e45e08132016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 40V, Positive-QTOFsplash10-0300-4264973000-a01965642e70fb5221392016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 10V, Negative-QTOFsplash10-002b-1301439000-55505c8d5aa12d10d9ed2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 20V, Negative-QTOFsplash10-01t9-3900424000-b7d7747eb6d5b7f860ab2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 40V, Negative-QTOFsplash10-06vl-9802430000-47fdd496c13b8686720c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 10V, Positive-QTOFsplash10-000b-0012907000-af41d9c8cbe294e8f24e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 20V, Positive-QTOFsplash10-05n1-2434932000-d6106478e8bf5dd23ad92021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 40V, Positive-QTOFsplash10-0a6u-9013750000-4675ce8abd0aa685ca002021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 10V, Negative-QTOFsplash10-0002-0000029000-f9e322b2674c82ec4b422021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 20V, Negative-QTOFsplash10-0a59-9100573000-74244c142de42b76ed882021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Goshonoside F5 40V, Negative-QTOFsplash10-052f-9300110000-3b6f9989d9870a5f22a52021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
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 IDFDB017927
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13855772
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1869251
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.