NP-MRD: Showing NP-Card for (2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate (NP0331075)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-09-12 17:03:50 UTC

Updated at

2022-09-12 17:03:51 UTC

NP-MRD ID

NP0331075

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate

Description

(2S,3R,4R,5R,6S)-6-[(9S)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. (2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate is found in Picramnia teapensis. Based on a literature review very few articles have been published on (2S,3R,4R,5R,6S)-6-[(9S)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309122219032D          

 48 53  0  0  1  0            999 V2000
    5.0013   -0.4125    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
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   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
    2.8579    0.0000    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
    2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  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
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    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
    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 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
    5.7158   -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
    2.1434   -2.8875    0.0000 C   0  0  2  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
    1.4289   -2.4750    0.0000 C   0  0  2  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
    1.4289   -1.6500    0.0000 C   0  0  1  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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  1  0  0  0
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  2 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 23 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 21 37  1  0  0  0  0
 37 38  1  1  0  0  0
 20 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 39 46  1  0  0  0  0
 46 47  1  0  0  0  0
 17 47  1  0  0  0  0
 47 48  2  0  0  0  0
M  END

     RDKit          3D

 82 87  0  0  0  0  0  0  0  0999 V2000
   -2.1996   -1.1263    4.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681   -1.0263    2.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629   -0.4155    1.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472   -0.3354    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2655    0.2488   -0.4822 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5136    0.8435   -0.2521 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5047    0.1358   -0.9607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7250    0.5446   -0.4700 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.8571   -0.3630   -0.8971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6605   -1.6630   -0.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0084    1.9453   -0.9601 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7336    2.6169    0.0229 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7851    2.6809   -1.4017 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5866    2.5737   -2.7971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5437    2.2982   -0.6689 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3749    3.1660    0.3942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2446   -0.8619   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3308   -1.4695    0.7702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6916   -1.5360    2.1316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9904   -1.9575    0.3326 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1233   -0.9707    0.6170 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3023   -1.6004    0.2309 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4357   -1.1213    0.8717 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.7547    0.1968    0.4883 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142    0.4557   -0.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6944   -0.4963   -0.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2923    1.8028   -0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4520    2.0364   -1.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7789    3.3297   -1.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9546    4.3871   -1.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7921    4.1153   -0.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581    2.8433   -0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4317   -1.3077    2.3545 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7154   -2.6475    2.6150 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1191   -0.8740    2.9127 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5195   -1.8467    3.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1738   -0.2774    1.8909 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6002    1.0890    1.6894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0324   -2.2149   -1.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0937   -3.0029   -1.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666   -3.1904   -2.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -3.9790   -3.4873 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3780   -2.5900   -3.8576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3402   -1.8226   -3.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5769   -1.2008   -4.2182 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1544   -1.6276   -2.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0138   -0.9251   -1.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8315   -0.3707   -2.2723 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7879   -2.0664    4.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7559   -0.2450    4.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2643   -1.2500    4.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6753   -0.0231    2.1881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8384    0.8170    0.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6800    0.5171    0.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0451   -0.3032   -1.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7762    0.0238   -0.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5388   -2.1348   -0.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6816    1.8548   -1.8478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1952    1.9890    0.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9837    3.7765   -1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6580    2.8374   -3.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6741    2.4460   -1.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1978    3.1471    0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0276   -2.0305    2.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2348   -2.8751    0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9738   -0.1796   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2733   -1.7772    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1321    1.2247   -1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7000    3.5333   -2.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1863    5.4163   -1.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1360    4.9639   -0.4579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5341    2.6592    0.2394 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3028   -0.7121    2.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4479   -2.8955    1.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3451   -0.0278    3.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -2.6798    3.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1983   -0.1395    2.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699    1.5368    1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -3.4815   -0.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9516   -4.3969   -2.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4842   -2.7133   -4.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5000   -1.3006   -5.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  4 17  2  0
 17 47  1  0
 47 48  2  0
 47 46  1  0
 46 44  2  0
 44 45  1  0
 44 43  1  0
 43 41  2  0
 41 42  1  0
 41 40  1  0
 40 39  2  0
 39 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 23 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 20 18  1  0
 18 19  2  0
 19  2  1  0
 15  6  1  0
 18 17  1  0
 39 46  1  0
 37 21  1  0
 32 27  1  0
  1 49  1  0
  1 50  1  0
  1 51  1  0
  3 52  1  0
  6 53  1  1
  8 54  1  1
  9 55  1  0
  9 56  1  0
 10 57  1  0
 11 58  1  6
 12 59  1  0
 13 60  1  6
 14 61  1  0
 15 62  1  6
 16 63  1  0
 45 82  1  0
 43 81  1  0
 42 80  1  0
 40 79  1  0
 20 65  1  1
 21 66  1  6
 23 67  1  6
 28 68  1  0
 29 69  1  0
 30 70  1  0
 31 71  1  0
 32 72  1  0
 33 73  1  1
 34 74  1  0
 35 75  1  1
 36 76  1  0
 37 77  1  1
 38 78  1  0
 19 64  1  0
M  END


  Mrv1652309122219032D          

 48 53  0  0  1  0            999 V2000
    5.0013   -0.4125    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
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   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
    2.8579    0.0000    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
    2.1434   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  1  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
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    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
    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 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
    5.7158   -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
    2.1434   -2.8875    0.0000 C   0  0  2  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
    1.4289   -2.4750    0.0000 C   0  0  2  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
    1.4289   -1.6500    0.0000 C   0  0  1  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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  6  0  0  0
  9 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
  6 15  1  0  0  0  0
 15 16  1  1  0  0  0
  4 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
  2 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  6  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 27 32  1  0  0  0  0
 23 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 21 37  1  0  0  0  0
 37 38  1  1  0  0  0
 20 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 39 46  1  0  0  0  0
 46 47  1  0  0  0  0
 17 47  1  0  0  0  0
 47 48  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0331075

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C(=O)C3=C(O)C=C(O)C=C3[C@@H]([C@@H]3O[C@@H](OC(=O)C4=CC=CC=C4)[C@H](O)[C@H](O)[C@H]3O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C33H34O15/c1-12-7-15-20(30-27(41)26(40)29(43)33(47-30)48-31(44)13-5-3-2-4-6-13)16-9-14(35)10-17(36)21(16)24(38)22(15)18(8-12)45-32-28(42)25(39)23(37)19(11-34)46-32/h2-10,19-20,23,25-30,32-37,39-43H,11H2,1H3/t19-,20+,23-,25+,26-,27-,28-,29-,30+,32-,33+/m1/s1

> <INCHI_KEY>
NTZOIPBIYCQPFA-HLIGNKPGSA-N

> <FORMULA>
C33H34O15

> <MOLECULAR_WEIGHT>
670.62

> <EXACT_MASS>
670.189770395

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
65.60864986064252

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4R,5R,6S)-6-[(9S)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate

> <JCHEM_LOGP>
1.2355383163333342

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.434700671729644

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.835880103792608

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6300899145989707

> <JCHEM_POLAR_SURFACE_AREA>
253.12999999999997

> <JCHEM_REFRACTIVITY>
161.03310000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4R,5R,6S)-6-[(9S)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 12-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-22         0                                  
HETATM    1  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.669   9.240   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.002  -3.080   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      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   17                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   15                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    6   16                                                  
CONECT   16   15                                                            
CONECT   17    4   18   47                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18    2                                                       
CONECT   20   18   21   39                                                  
CONECT   21   20   22   37                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   33                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   27                                                       
CONECT   33   23   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   21   38                                                  
CONECT   38   37                                                            
CONECT   39   20   40   46                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   39   47                                                  
CONECT   47   46   17   48                                                  
CONECT   48   47                                                            
MASTER        0    0    0    0    0    0    0    0   48    0  106    0
END

View in JSmol

Synonyms

Value	Source
(2S,3R,4R,5R,6S)-6-[(9S)-2,4-Dihydroxy-7-methyl-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoic acid	Generator

Chemical Formula

C₃₃H₃₄O₁₅

Average Mass

670.6200 Da

Monoisotopic Mass

670.18977 Da

IUPAC Name

(2S,3R,4R,5R,6S)-6-[(9S)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9,10-dihydroanthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate

Traditional Name

(2S,3R,4R,5R,6S)-6-[(9S)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate

CAS Registry Number

Not Available

SMILES

CC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C2C(=O)C3=C(O)C=C(O)C=C3[C@@H]([C@@H]3O[C@@H](OC(=O)C4=CC=CC=C4)[C@H](O)[C@H](O)[C@H]3O)C2=C1

InChI Identifier

InChI=1S/C33H34O15/c1-12-7-15-20(30-27(41)26(40)29(43)33(47-30)48-31(44)13-5-3-2-4-6-13)16-9-14(35)10-17(36)21(16)24(38)22(15)18(8-12)45-32-28(42)25(39)23(37)19(11-34)46-32/h2-10,19-20,23,25-30,32-37,39-43H,11H2,1H3/t19-,20+,23-,25+,26-,27-,28-,29-,30+,32-,33+/m1/s1

InChI Key

NTZOIPBIYCQPFA-HLIGNKPGSA-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
Picramnia teapensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Anthracene
O-glycosyl compound
Benzoate ester
Benzoic acid or derivatives
Benzoyl
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Monosaccharide
Oxane
Benzenoid
Vinylogous acid
Ketone
Carboxylic acid ester
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxide
Alcohol
Hydrocarbon derivative
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	1.24	ChemAxon
pKa (Strongest Acidic)	7.84	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	253.13 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	161.03 m³·mol⁻¹	ChemAxon
Polarizability	65.61 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

552770

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

637118

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,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate (NP0331075)

MOL for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

3D MOL for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

3D SDF for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

3D-SDF for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

PDB for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

3D PDB for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

SMILES for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

INCHI for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

Structure for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)

3D Structure for NP0331075 ((2s,3r,4r,5r,6s)-6-[(9s)-2,4-dihydroxy-7-methyl-10-oxo-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-9h-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl benzoate)