NP-MRD: Showing NP-Card for Fraxicarboside B (NP0082323)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-04-29 03:21:49 UTC

Updated at

2022-04-29 03:21:49 UTC

NP-MRD ID

NP0082323

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Fraxicarboside B

Description

Fraxicarboside B belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Fraxicarboside B is found in Fraxinus angustifolia and Fraxinus oxycarba. It was first documented in 2022 (PMID: 35490312). Based on a literature review a significant number of articles have been published on Fraxicarboside B (PMID: 35490274) (PMID: 35490310) (PMID: 35490308) (PMID: 35490277).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304292205212D          

 51 54  0  0  1  0            999 V2000
   -2.8579   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  2  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
   -2.8579   -6.6000    0.0000 O   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
   -2.1434   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    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
   -4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -11.1375    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
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    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   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  1  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
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   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
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    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
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428   -4.7924    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
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    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
   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 21  1  6  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 22 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 41 46  1  0  0  0  0
 44 47  1  0  0  0  0
 43 48  1  0  0  0  0
  3 49  1  1  0  0  0
  2 50  1  6  0  0  0
  1 51  1  1  0  0  0
M  END

     RDKit          3D

 89 92  0  0  0  0  0  0  0  0999 V2000
   -2.1327    3.8839    2.5030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594    2.8473    1.5240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5965    3.0171    0.2615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0626    4.1051   -0.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6753    1.8991   -0.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1823    1.9278   -1.8897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2874    0.8179   -2.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9084   -0.4433   -2.1524 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4654   -0.4855   -1.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0743   -1.5702   -2.6260 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5756   -2.4223   -1.7062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8751   -2.2212   -1.2927 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9583   -1.0014   -0.4391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2811   -0.7306   -0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    0.3452    0.7745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7049    1.1196    1.1228 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9825    0.6299    1.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0317   -0.0899    0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3992    0.1838    1.3712 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4414   -0.6482    1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7485   -0.4592    1.3893 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0529    0.6343    2.1714 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3804    0.8388    2.5570 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0470    1.4973    2.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4060    2.5875    3.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7405    1.2635    2.1507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8011   -2.2019   -2.4925 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5725   -3.3555   -3.2551 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123   -1.0335   -3.3597 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6840    0.2015   -2.7466 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709   -1.1014   -3.7298 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8370   -2.0040   -4.8116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5820   -0.5194   -0.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4754   -1.6496   -0.1457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532   -1.9414    1.1675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9431   -3.0427    1.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3528    0.6015   -0.2835 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7767    0.6418   -0.8460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5570   -0.5705   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338   -1.6130   -1.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5141   -0.5838    0.4263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3159   -1.7107    0.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2236   -1.1877    1.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9745   -0.0672    1.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4922    1.2174    1.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2201    2.2685    0.8017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4235    2.0162    0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1637    3.0691   -0.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9049    0.7311    0.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0997    0.4348   -0.4893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1732   -0.2898    0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1115    3.8470    3.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3744    3.6954    3.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0290    4.8717    2.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6899    2.8615   -2.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799   -1.2803   -2.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1870   -2.1179   -3.1069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1554   -3.1415   -0.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4842   -0.1061   -0.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4019   -1.2584    0.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1687    1.5180    1.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8476   -0.9746    0.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2056   -1.5036    0.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5495   -1.1421    1.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1150    0.2206    2.2880 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6566    3.2113    3.6112 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0061    1.9700    2.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8616   -2.2098   -2.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9142   -3.9306   -2.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061   -1.0970   -4.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3832    0.6748   -3.2914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6003   -0.1204   -4.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5219   -2.8878   -4.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8947   -2.4553   -0.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1946   -2.3373    1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530   -1.1129    1.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9211   -3.4989    2.0087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296    0.6297    0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3329    1.5117   -0.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7473    0.8471   -1.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8928   -2.0996   -0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6262   -2.4732    1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5585   -0.8783    2.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8802   -2.0225    2.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5593    1.4796    1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8220    3.2831    0.8561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7880    4.0142   -0.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4261   -0.5129   -0.5143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5374   -1.3109    0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 26  2  0
 26 24  1  0
 24 25  1  0
 24 22  2  0
 22 23  1  0
 22 21  1  0
 21 20  2  0
 12 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
  8 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 33 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 51  2  0
 51 49  1  0
 49 50  1  0
 49 47  2  0
 47 48  1  0
 47 46  1  0
 46 45  2  0
 37  5  1  0
 45 44  1  0
 31 10  1  0
 20 19  1  0
  1 52  1  0
  1 53  1  0
  1 54  1  0
  6 55  1  0
  8 56  1  6
 10 57  1  6
 12 58  1  1
 13 59  1  0
 13 60  1  0
 17 61  1  0
 18 62  1  0
 26 67  1  0
 25 66  1  0
 23 65  1  0
 21 64  1  0
 20 63  1  0
 27 68  1  1
 28 69  1  0
 29 70  1  6
 30 71  1  0
 31 72  1  6
 32 73  1  0
 34 74  1  0
 35 75  1  0
 35 76  1  0
 36 77  1  0
 37 78  1  1
 38 79  1  0
 38 80  1  0
 42 81  1  0
 42 82  1  0
 43 83  1  0
 43 84  1  0
 51 89  1  0
 50 88  1  0
 48 87  1  0
 46 86  1  0
 45 85  1  0
M  END


  Mrv1652304292205212D          

 51 54  0  0  1  0            999 V2000
   -2.8579   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -5.3625    0.0000 C   0  0  2  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
   -2.8579   -6.6000    0.0000 O   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
   -2.1434   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -7.8375    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
   -4.2868   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013  -11.1375    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
    0.0000   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    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   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  1  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
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   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
    2.1434   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    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
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3428   -4.7924    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
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    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
   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  1  0  0  0  0
 15 20  1  0  0  0  0
  4 21  1  6  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 22 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 27 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 41 46  1  0  0  0  0
 44 47  1  0  0  0  0
 43 48  1  0  0  0  0
  3 49  1  1  0  0  0
  2 50  1  6  0  0  0
  1 51  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0082323

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\CO)[C@@H]1CC(=O)OCCC1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C34H38O17/c1-46-32(45)21-15-49-33(19(8-10-35)20(21)14-28(41)47-11-9-18-3-6-23(37)25(39)13-18)51-34-31(44)30(43)29(42)26(50-34)16-48-27(40)7-4-17-2-5-22(36)24(38)12-17/h2-8,12-13,15,20,26,29-31,33-39,42-44H,9-11,14,16H2,1H3/b7-4+,19-8+/t20-,26+,29+,30-,31+,33-,34-/m0/s1

> <INCHI_KEY>
VXKXMAPMMYGLJE-VPMGPIIOSA-N

> <FORMULA>
C34H38O17

> <MOLECULAR_WEIGHT>
718.661

> <EXACT_MASS>
718.210899764

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
71.0026851284156

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(2-hydroxyethylidene)-3,4-dihydro-2H-pyran-5-carboxylate

> <ALOGPS_LOGP>
2.13

> <JCHEM_LOGP>
1.2572646736666675

> <ALOGPS_LOGS>
-3.44

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.548326583297202

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.943750012728795

> <JCHEM_PKA_STRONGEST_BASIC>
-2.5358866050664

> <JCHEM_POLAR_SURFACE_AREA>
268.42999999999995

> <JCHEM_REFRACTIVITY>
173.5224

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.61e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (4S,5E,6S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-(2-hydroxyethylidene)-4,6-dihydropyran-3-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -2.667  -9.240   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001 -11.550   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -5.335 -12.320   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -5.335 -13.860   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      -4.001 -14.630   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.002 -18.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.336 -19.250   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -10.669 -18.480   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -10.669 -16.940   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -12.003 -19.250   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -9.336 -20.790   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       6.240  -8.946   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      -6.668 -10.010   0.000  0.00  0.00           O+0
CONECT    1    2    6   51                                                  
CONECT    2    1    3   50                                                  
CONECT    3    2    4   49                                                  
CONECT    4    3    5   21                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17   13                                                       
CONECT   19   16                                                            
CONECT   20   15                                                            
CONECT   21    4   22                                                       
CONECT   22   21   23   30                                                  
CONECT   23   22   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   23   28   35                                                  
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29   22                                                       
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33                                                            
CONECT   35   27   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   46                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44   48                                                  
CONECT   44   43   45   47                                                  
CONECT   45   44   46                                                       
CONECT   46   45   41                                                       
CONECT   47   44                                                            
CONECT   48   43                                                            
CONECT   49    3                                                            
CONECT   50    2                                                            
CONECT   51    1                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  108    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₈O₁₇

Average Mass

718.6610 Da

Monoisotopic Mass

718.21090 Da

IUPAC Name

methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-2-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3-(2-hydroxyethylidene)-3,4-dihydro-2H-pyran-5-carboxylate

Traditional Name

methyl (4S,5E,6S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-6-{[(2S,3R,4S,5S,6R)-6-({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-5-(2-hydroxyethylidene)-4,6-dihydropyran-3-carboxylate

CAS Registry Number

Not Available

SMILES

COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)\C=C\C3=CC(O)=C(O)C=C3)[C@@H](O)[C@H](O)[C@H]2O)\C(=C\CO)[C@@H]1CC(=O)OCCC1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C34H38O17/c1-46-32(45)21-15-49-33(19(8-10-35)20(21)14-28(41)47-11-9-18-3-6-23(37)25(39)13-18)51-34-31(44)30(43)29(42)26(50-34)16-48-27(40)7-4-17-2-5-22(36)24(38)12-17/h2-8,12-13,15,20,26,29-31,33-39,42-44H,9-11,14,16H2,1H3/b7-4+,19-8+/t20-,26+,29+,30-,31+,33-,34-/m0/s1

InChI Key

VXKXMAPMMYGLJE-VPMGPIIOSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Fraxinus angustifolia	LOTUS Database	35616633
Fraxinus oxycarba	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Cinnamic acid or derivatives
Coumaric acid or derivatives
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
O-glycosyl compound
Secoiridoid-skeleton
Glycosyl compound
Monoterpenoid
Aromatic monoterpenoid
Monocyclic monoterpenoid
Tyrosol derivative
Tricarboxylic acid or derivatives
Styrene
Catechol
Sugar acid
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Fatty acid ester
Fatty acyl
Oxane
Monocyclic benzene moiety
Monosaccharide
Benzenoid
Vinylogous ester
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Methyl ester
Carboxylic acid ester
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Polyol
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Primary alcohol
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.13	ALOGPS
logP	1.26	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	8.94	ChemAxon
pKa (Strongest Basic)	-2.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	268.43 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	173.52 m³·mol⁻¹	ChemAxon
Polarizability	71 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00049162

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102316372

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Bagheri Yazdi SM, Shahsavandi S, Fotouhi F, Tebianian M, Ebrahimi MM: Modulation of Immune Responses Against HA1 Influenza Vaccine Candidate by B-lymphocyte Stimulator Cytokine in Mice. Iran J Allergy Asthma Immunol. 2022 Apr 11;21(2):207-214. doi: 10.18502/ijaai.v21i2.9228. [PubMed:35490274 ]
Cano EA, Esguerra MA, Batausa AM, Baluyut JR, Cadiz R, Docto HF, Encabo JR, Gomez RM, Sadang MG: Association between ABO Blood Groups and Type 2 Diabetes Mellitus: A Meta-Analysis. Curr Diabetes Rev. 2022 Apr 27. pii: CDR-EPUB-122962. doi: 10.2174/1573399818666220427124448. [PubMed:35490312 ]
Alam MS, Lee DU: Hydrazide-Hydrazones as Small Molecule Tropomyosin Receptor Kinase A (TRKA) Inhibitors: Synthesis, Anticancer Activities, In Silico ADME and Molecular Docking Studies. Med Chem. 2022 Apr 27. pii: MC-EPUB-122947. doi: 10.2174/1573406418666220427105041. [PubMed:35490310 ]
Kimura T, Panaroni C, Rankin EB, Purton LE, Wu JY: Loss of Parathyroid Hormone Receptor Signaling in Osteoprogenitors Is Associated With Accumulation of Multiple Hematopoietic Lineages in the Bone Marrow. J Bone Miner Res. 2022 Jul;37(7):1321-1334. doi: 10.1002/jbmr.4568. Epub 2022 Jun 1. [PubMed:35490308 ]
Moulazadeh A, Farjadfar A, Ghanbariasad A: The Unspecific Primers of Nuclear Factor-kappa B (NF-kappaB) Signaling Mediators. Iran J Allergy Asthma Immunol. 2022 Apr 11;21(2):228-231. doi: 10.18502/ijaai.v21i2.9231. [PubMed:35490277 ]

Showing NP-Card for Fraxicarboside B (NP0082323)

MOL for NP0082323 (Fraxicarboside B)

3D MOL for NP0082323 (Fraxicarboside B)

3D SDF for NP0082323 (Fraxicarboside B)

3D-SDF for NP0082323 (Fraxicarboside B)

PDB for NP0082323 (Fraxicarboside B)

3D PDB for NP0082323 (Fraxicarboside B)

SMILES for NP0082323 (Fraxicarboside B)

INCHI for NP0082323 (Fraxicarboside B)

Structure for NP0082323 (Fraxicarboside B)

3D Structure for NP0082323 (Fraxicarboside B)