NP-MRD: Showing NP-Card for (2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate (NP0255927)

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Record Information

Version

2.0

Created at

2022-09-07 20:35:41 UTC

Updated at

2022-09-07 20:35:42 UTC

NP-MRD ID

NP0255927

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate

Description

1-Hydroxy-3-(beta-D-glucopyranosyloxy)-2,7-dimethoxy-6-[2-O-acetyl-3-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyloxy]-9H-xanthene-9-one belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring. (2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate is found in Polygala sibirica. Based on a literature review very few articles have been published on 1-Hydroxy-3-(beta-D-glucopyranosyloxy)-2,7-dimethoxy-6-[2-O-acetyl-3-O-(alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyloxy]-9H-xanthene-9-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072222352D          

 56 61  0  0  1  0            999 V2000
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    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
    2.8579   -1.6500    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
    3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  1  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
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -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
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  1  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
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -6.1875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -7.4250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -7.8375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -7.4250    0.0000 C   0  0  1  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
   -1.4289   -6.6000    0.0000 C   0  0  1  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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  1  0  0  0
 14 27  1  0  0  0  0
 27 28  2  0  0  0  0
  8 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
  3 32  2  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 40 41  1  1  0  0  0
 42 41  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  1  0  0  0
 44 46  1  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 48 49  1  1  0  0  0
 48 50  1  0  0  0  0
 42 50  1  0  0  0  0
 50 51  1  1  0  0  0
 40 52  1  0  0  0  0
 34 52  1  0  0  0  0
 52 53  1  1  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
M  END

     RDKit          3D

100105  0  0  0  0  0  0  0  0999 V2000
   -1.4792    2.2204    5.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8893    1.6244    3.8251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9316    1.1594    2.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4173    1.2996    3.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3951    0.8377    2.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7461    0.9810    2.7810 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0115    1.5196    3.8621 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803    0.5080    1.8907 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0260    0.6026    2.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4890    1.1688    3.2967 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9732    0.1117    1.2210 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920    0.2820    1.6406 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8853   -0.6415    2.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5922   -0.4591    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4474   -0.9421   -0.8709 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7808   -1.0675   -1.0205 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2853   -0.0986   -1.9518 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6728   -0.2857   -1.9753 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.4015    0.9733   -2.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0591    1.4905   -3.5471 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9505   -1.3480   -3.0151 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1609   -1.9586   -2.7569 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7741   -2.3180   -2.9836 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8107   -1.9903   -3.9096 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1754   -2.4149   -1.5996 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1457   -3.0300   -0.7848 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2044   -0.5450   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2576   -0.0827    0.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -0.1906    0.4238 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0433    0.2437    1.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2916    0.1266    0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3157    0.5752    1.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019    0.4246    1.4224 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8166    0.7846    1.9173 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.3560   -0.3543    2.5631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6426   -0.0902    3.0286 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6702    0.9604    4.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5819    0.2494    1.8772 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.7447   -0.4656    1.8811 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7434    0.0751    0.6079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4700    0.1779   -0.5319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3920   -0.9205   -1.3841 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.8787   -0.4909   -2.5854 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8101   -0.4754   -3.6105 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2155    0.2845   -4.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1377   -1.9132   -3.9438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9640   -1.9071   -5.0656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8168   -2.4888   -2.7284 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.2575   -3.7637   -2.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7023   -1.6448   -1.4973 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.8214   -2.5138   -0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7026    1.1776    0.7153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4281    2.3673    0.9665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3919    3.4969    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1821    4.7280    0.5113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376    3.4624   -0.8301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3280    2.4360    5.7145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030    1.5087    5.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631    3.1108    4.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6898    1.7649    4.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1007    1.5642    4.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9453   -0.3755    2.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8802   -1.6403    2.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3515   -0.6492    3.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4292   -0.9035   -0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9908   -0.6544   -0.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2314    1.7238   -1.4974 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4958    0.7368   -2.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7656    2.4372   -3.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9908   -0.8837   -4.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7856   -1.8512   -3.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1877   -3.3123   -3.2506 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0983   -1.4373   -3.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3400   -3.1206   -1.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1269   -4.0011   -0.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090   -1.0131   -1.1161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5671   -0.3409    0.0038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8315    1.5558    2.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0163   -1.0387    3.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7030    0.9291    4.5483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9538    0.6669    4.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5377    1.9887    3.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8284    1.3357    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3323   -0.0639    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1901   -0.8772    0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6816   -1.6319   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7514    0.0394   -3.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8940    1.2802   -4.3705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3320   -0.2305   -5.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0091    0.5064   -5.5265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1653   -2.4086   -4.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6802   -2.5876   -4.8967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8793   -2.6767   -3.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9918   -4.1462   -3.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
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 13 62  1  0
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 13 64  1  0
 10 61  1  0
  4 60  1  0
M  END


  Mrv1652309072222352D          

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    0.0000   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1434   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1434   -3.7125    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
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  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 11 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  1  0  0  0
 14 27  1  0  0  0  0
 27 28  2  0  0  0  0
  8 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
  5 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
  3 32  2  0  0  0  0
 32 33  1  0  0  0  0
 34 33  1  6  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  6  0  0  0
 38 40  1  0  0  0  0
 40 41  1  1  0  0  0
 42 41  1  6  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  1  0  0  0
 44 46  1  0  0  0  0
 46 47  1  6  0  0  0
 46 48  1  0  0  0  0
 48 49  1  1  0  0  0
 48 50  1  0  0  0  0
 42 50  1  0  0  0  0
 50 51  1  1  0  0  0
 40 52  1  0  0  0  0
 34 52  1  0  0  0  0
 52 53  1  1  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0255927

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2OC(C)=O)C=C2OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C(O)=C3C(=O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C35H44O21/c1-10-21(38)26(43)28(45)33(49-10)56-31-22(39)11(2)50-35(32(31)51-12(3)37)53-16-7-14-13(6-15(16)47-4)23(40)20-17(52-14)8-18(30(48-5)25(20)42)54-34-29(46)27(44)24(41)19(9-36)55-34/h6-8,10-11,19,21-22,24,26-29,31-36,38-39,41-46H,9H2,1-5H3/t10-,11-,19+,21-,22-,24+,26+,27-,28+,29+,31+,32+,33-,34+,35-/m0/s1

> <INCHI_KEY>
IGENOGVNEKTWHH-NZEZQPMYSA-N

> <FORMULA>
C35H44O21

> <MOLECULAR_WEIGHT>
800.716

> <EXACT_MASS>
800.237508437

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
100

> <JCHEM_AVERAGE_POLARIZABILITY>
78.06818343573147

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4R,5S,6S)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-3-yl)oxy]-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate

> <JCHEM_LOGP>
-1.3884247646666665

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.886152897716407

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.860129779869338

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612182608994826

> <JCHEM_POLAR_SURFACE_AREA>
308.51

> <JCHEM_REFRACTIVITY>
178.45160000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4R,5S,6S)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       6.668  -0.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.004  -0.000   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      17.338  -2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       0.000 -12.320   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       0.000 -13.860   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      -1.334 -14.630   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      -1.334 -16.170   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      -2.667 -13.860   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      -4.001 -14.630   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0      -2.667 -12.320   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      -4.001 -11.550   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   32                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   30                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   28                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   14                                                  
CONECT   12   11   13                                                       
CONECT   13   12                                                            
CONECT   14   11   15   27                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   25                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   16   26                                                  
CONECT   26   25                                                            
CONECT   27   14   28                                                       
CONECT   28   27    8   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29    5   31                                                  
CONECT   31   30   32                                                       
CONECT   32   31    3   33                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   52                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   52                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   50                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   42   51                                                  
CONECT   51   50                                                            
CONECT   52   40   34   53                                                  
CONECT   53   52   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  122    0
END

View in JSmol

Synonyms

Value	Source
1-Hydroxy-3-(b-D-glucopyranosyloxy)-2,7-dimethoxy-6-[2-O-acetyl-3-O-(a-L-rhamnopyranosyl)-a-L-rhamnopyranosyloxy]-9H-xanthene-9-one	Generator
1-Hydroxy-3-(β-D-glucopyranosyloxy)-2,7-dimethoxy-6-[2-O-acetyl-3-O-(α-L-rhamnopyranosyl)-α-L-rhamnopyranosyloxy]-9H-xanthene-9-one	Generator

Chemical Formula

C₃₅H₄₄O₂₁

Average Mass

800.7160 Da

Monoisotopic Mass

800.23751 Da

IUPAC Name

(2S,3R,4R,5S,6S)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-xanthen-3-yl)oxy]-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate

Traditional Name

(2S,3R,4R,5S,6S)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate

CAS Registry Number

Not Available

SMILES

COC1=C(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2OC(C)=O)C=C2OC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C(O)=C3C(=O)C2=C1

InChI Identifier

InChI=1S/C35H44O21/c1-10-21(38)26(43)28(45)33(49-10)56-31-22(39)11(2)50-35(32(31)51-12(3)37)53-16-7-14-13(6-15(16)47-4)23(40)20-17(52-14)8-18(30(48-5)25(20)42)54-34-29(46)27(44)24(41)19(9-36)55-34/h6-8,10-11,19,21-22,24,26-29,31-36,38-39,41-46H,9H2,1-5H3/t10-,11-,19+,21-,22-,24+,26+,27-,28+,29+,31+,32+,33-,34+,35-/m0/s1

InChI Key

IGENOGVNEKTWHH-NZEZQPMYSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Polygala sibirica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

Xanthones

Alternative Parents

Substituents

Phenolic glycoside
Xanthone
Chromone
Disaccharide
Glycosyl compound
O-glycosyl compound
Anisole
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Pyranone
Oxane
Benzenoid
Pyran
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Carboxylic acid ester
Acetal
Monocarboxylic acid or derivatives
Oxacycle
Ether
Carboxylic acid derivative
Polyol
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Carbonyl group
Organic oxide
Alcohol
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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	-1.4	ChemAxon
pKa (Strongest Acidic)	8.86	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	308.51 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	178.45 m³·mol⁻¹	ChemAxon
Polarizability	78.07 Å³	ChemAxon
Number of Rings	6	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

Not Available

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

101861907

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate (NP0255927)

MOL for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

3D MOL for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

3D SDF for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

3D-SDF for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

PDB for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

3D PDB for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

SMILES for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

INCHI for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

Structure for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)

3D Structure for NP0255927 ((2s,3r,4r,5s,6s)-5-hydroxy-2-[(8-hydroxy-2,7-dimethoxy-9-oxo-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}xanthen-3-yl)oxy]-6-methyl-4-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl acetate)