NP-MRD: Showing NP-Card for (2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate (NP0247861)

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Record Information

Version

2.0

Created at

2022-09-07 09:51:46 UTC

Updated at

2022-09-07 09:51:46 UTC

NP-MRD ID

NP0247861

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate

Description

(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. (2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate is found in Euryops arabicus. Based on a literature review very few articles have been published on (2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072211512D          

 54 59  0  0  1  0            999 V2000
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    0.0000 C   0  0  2  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
    2.8579   -4.1250    0.0000 C   0  0  1  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   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  1  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
    0.0000   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   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   -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 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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 O   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
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   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
   -2.1434   -3.7125    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
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545   -2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3242   -4.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1367   -4.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4189   -5.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6670   -3.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3848   -3.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  1  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
    0.0000   -4.1250    0.0000 C   0  0  2  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
    3.5724   -3.7125    0.0000 C   0  0  2  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   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  2  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 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
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 37 44  1  0  0  0  0
 32 45  1  0  0  0  0
 45 46  1  6  0  0  0
 45 47  1  0  0  0  0
  7 47  1  0  0  0  0
 47 48  1  1  0  0  0
  4 49  1  0  0  0  0
 49 50  1  6  0  0  0
 49 51  1  0  0  0  0
 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
  2 53  1  0  0  0  0
 53 54  1  1  0  0  0
M  END

     RDKit          3D

 94 99  0  0  0  0  0  0  0  0999 V2000
    8.1384    1.6857    1.8744 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6300    0.8107    0.7259 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3337    1.1620    0.4286 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4951    0.0753    0.2030 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.3202    0.4440   -0.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2069    0.1955    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208    0.5611   -0.3302 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8776    0.2873    0.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3043    0.2868   -0.2838 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3201   -0.3858    0.4137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3613   -1.7046    0.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9374   -2.6699   -0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6382   -2.4234   -1.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538   -1.2164   -1.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6769   -1.0589   -3.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9049   -2.1477   -3.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5263   -1.9308   -5.0520 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4949   -3.3735   -3.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7073   -4.4883   -4.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -3.5077   -2.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8842   -3.9692    0.3807 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2954   -4.3319    1.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2683   -5.6684    1.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366   -6.0606    3.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6108   -7.4009    3.4050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167   -5.1466    3.8507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0591   -3.8304    3.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5469   -2.8688    4.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6818   -3.4111    2.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7208   -2.1073    1.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1857   -1.2407    2.5829 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6011    1.6833   -0.5559 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8088    1.9444   -1.2346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8808    2.6333   -0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7785    3.0553    0.4753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0911    2.8454   -1.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1956    3.5664   -0.8145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3157    3.7159   -1.6704 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7121    2.8034    0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9789    3.4602    0.8598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6932    4.8931    1.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9886    5.3850    2.2571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0261    5.7044    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8094    4.9822   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5385    2.4752   -1.1679 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4040    3.8360   -0.9165 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9053    1.9722   -0.8327 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7832    2.0573   -1.9145 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1811   -1.0251   -0.5886 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2054   -2.0262   -0.7816 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2783   -1.6371    0.2445 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6951   -2.6366    1.0506 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8194   -0.6045    1.1748 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2130   -0.8090    1.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2494    1.5590    1.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9612    2.7560    1.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7120    1.3311    2.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3295    1.0208   -0.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2497   -0.3392    1.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3271    0.8400    1.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2415   -0.8516    0.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8075   -0.1545   -1.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109   -0.3032   -1.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9305   -0.3596   -1.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9877   -0.0742   -3.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7187   -2.6860   -5.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1388   -4.5070   -5.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5675   -4.4951   -1.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7519   -6.3889    1.2095 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1845   -7.9374    3.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4756   -5.4529    4.7670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0206   -3.0546    5.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7600    2.1889    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5143    1.8825   -1.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8615    3.4262   -2.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7664    2.8502   -1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9872    2.8574    1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9700    1.7803    0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8145    3.3697    0.1522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2984    2.9763    1.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7349    5.9997   -0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6499    6.6240    0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5248    5.5203   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0607    4.9633    0.3385 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4071    2.3568   -2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3009    3.9816   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5477   -0.6535   -1.5692 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2727   -2.3670   -1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786   -2.0783   -0.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2625   -2.8238    1.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4435   -0.7036    2.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6614   -0.6111    0.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
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 49 89  1  6
 50 90  1  0
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 52 92  1  0
 53 93  1  1
 54 94  1  0
M  END


  Mrv1652309072211512D          

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    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 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -2.4750    0.0000 O   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
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   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
   -2.1434   -3.7125    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
   -3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8545   -2.1123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0421   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3242   -4.2947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1367   -4.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4189   -5.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6670   -3.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3848   -3.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  1  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
    0.0000   -4.1250    0.0000 C   0  0  2  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
    3.5724   -3.7125    0.0000 C   0  0  2  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   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  0  0  0
  5  6  1  0  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 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
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 13 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  0  0  0  0
 11 30  1  0  0  0  0
 30 31  2  0  0  0  0
  9 32  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 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
 41 43  1  0  0  0  0
 43 44  1  0  0  0  0
 37 44  1  0  0  0  0
 32 45  1  0  0  0  0
 45 46  1  6  0  0  0
 45 47  1  0  0  0  0
  7 47  1  0  0  0  0
 47 48  1  1  0  0  0
  4 49  1  0  0  0  0
 49 50  1  6  0  0  0
 49 51  1  0  0  0  0
 51 52  1  6  0  0  0
 51 53  1  0  0  0  0
  2 53  1  0  0  0  0
 53 54  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0247861

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)[C@H](OC(=O)CC3(O)CCC(=O)CC3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C35H40O19/c1-13-24(42)27(45)29(47)33(50-13)49-12-21-25(43)28(46)32(53-22(41)11-35(48)6-4-15(36)5-7-35)34(52-21)54-31-26(44)23-19(40)9-16(37)10-20(23)51-30(31)14-2-3-17(38)18(39)8-14/h2-3,8-10,13,21,24-25,27-29,32-34,37-40,42-43,45-48H,4-7,11-12H2,1H3/t13-,21+,24-,25+,27+,28-,29+,32+,33+,34-/m0/s1

> <INCHI_KEY>
VGNFZNPQSVHSFZ-FBBSCJJRSA-N

> <FORMULA>
C35H40O19

> <MOLECULAR_WEIGHT>
764.686

> <EXACT_MASS>
764.216379068

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
73.07599272225241

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate

> <JCHEM_LOGP>
-0.46404935433333305

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.872515347254176

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.372402508419557

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649408305801546

> <JCHEM_POLAR_SURFACE_AREA>
308.89

> <JCHEM_REFRACTIVITY>
177.24340000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl (1-hydroxy-4-oxocyclohexyl)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       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668 -10.010   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -7.195  -3.943   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -5.679  -6.570   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -6.205  -8.017   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -7.722  -8.284   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      -8.249  -9.731   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      -8.712  -7.105   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -8.185  -5.657   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   53                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   49                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   47                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   32                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   30                                                  
CONECT   12   11   13   21                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   13                                                       
CONECT   21   12   22                                                       
CONECT   22   21   23   29                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   22   30                                                  
CONECT   30   29   11   31                                                  
CONECT   31   30                                                            
CONECT   32    9   33   45                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39   44                                             
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   43                                                  
CONECT   42   41                                                            
CONECT   43   41   44                                                       
CONECT   44   43   37                                                       
CONECT   45   32   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45    7   48                                                  
CONECT   48   47                                                            
CONECT   49    4   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51    2   54                                                  
CONECT   54   53                                                            
MASTER        0    0    0    0    0    0    0    0   54    0  118    0
END

View in JSmol

Synonyms

Value	Source
(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetic acid	Generator

Chemical Formula

C₃₅H₄₀O₁₉

Average Mass

764.6860 Da

Monoisotopic Mass

764.21638 Da

IUPAC Name

Traditional Name

(2S,3R,4S,5S,6R)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl (1-hydroxy-4-oxocyclohexyl)acetate

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)[C@H](OC(=O)CC3(O)CCC(=O)CC3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C35H40O19/c1-13-24(42)27(45)29(47)33(50-13)49-12-21-25(43)28(46)32(53-22(41)11-35(48)6-4-15(36)5-7-35)34(52-21)54-31-26(44)23-19(40)9-16(37)10-20(23)51-30(31)14-2-3-17(38)18(39)8-14/h2-3,8-10,13,21,24-25,27-29,32-34,37-40,42-43,45-48H,4-7,11-12H2,1H3/t13-,21+,24-,25+,27+,28-,29+,32+,33+,34-/m0/s1

InChI Key

VGNFZNPQSVHSFZ-FBBSCJJRSA-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
Euryops arabicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Saccharolipid
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavone
7-hydroxyflavonoid
Glycosyl compound
Disaccharide
O-glycosyl compound
Chromone
1-benzopyran
Benzopyran
Catechol
Pyranone
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyran
Benzenoid
Oxane
Monocyclic benzene moiety
Tertiary alcohol
Cyclic alcohol
Vinylogous acid
Heteroaromatic compound
Cyclic ketone
Carboxylic acid ester
Secondary alcohol
Ketone
Carboxylic acid derivative
Organoheterocyclic compound
Acetal
Polyol
Monocarboxylic acid or derivatives
Oxacycle
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organic oxygen compound
Alcohol
Organooxygen compound
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	-0.46	ChemAxon
pKa (Strongest Acidic)	6.37	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	308.89 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	177.24 m³·mol⁻¹	ChemAxon
Polarizability	73.08 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

163046640

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,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate (NP0247861)

MOL for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

3D MOL for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

3D SDF for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

3D-SDF for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

PDB for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

3D PDB for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

SMILES for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

INCHI for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

Structure for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)

3D Structure for NP0247861 ((2s,3r,4s,5s,6r)-2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-({[(2r,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-3-yl 2-(1-hydroxy-4-oxocyclohexyl)acetate)