NP-MRD: Showing NP-Card for [(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate (NP0147104)

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Record Information

Version

2.0

Created at

2022-09-02 02:38:26 UTC

Updated at

2022-09-02 02:38:26 UTC

NP-MRD ID

NP0147104

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate

Description

[(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)-4H-chromen-3-yl]oxy}oxan-2-yl]methyl 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. [(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate is found in Consolida oliveriana. Based on a literature review very few articles have been published on [(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)-4H-chromen-3-yl]oxy}oxan-2-yl]methyl acetate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022204382D          

 57 60  0  0  1  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    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
    1.4289   -1.6500    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   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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    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
    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 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    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
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 O   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    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  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  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
    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
    4.2868   -1.6500    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
    3.5724   -2.8875    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
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    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
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    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
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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
    5.0013   -1.2375    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
    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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  2  0  0  0  0
 16 29  1  0  0  0  0
 15 30  2  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  1  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 40 45  1  0  0  0  0
 45 46  1  1  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 45 50  1  0  0  0  0
 32 50  1  0  0  0  0
 50 51  1  6  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  2  0  0  0  0
 30 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
  5 57  2  0  0  0  0
 13 57  1  0  0  0  0
M  END

     RDKit          3D

 95 98  0  0  0  0  0  0  0  0999 V2000
    0.0745   -6.2682   -1.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535   -5.5197   -1.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8542   -6.1274   -2.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3761   -4.3125   -1.1901 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2624   -3.7007   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2257   -4.3750    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0988   -3.6586    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0979   -4.3153    1.8187 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3676   -4.4939    1.2944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728   -5.1993    2.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5835   -4.0391    0.1450 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0019   -2.2951    1.2074 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0274   -1.6198    0.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9362   -0.3362    0.6102 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0231    0.4055   -0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0549    1.8583    0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3285    2.7730   -0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4178    4.1365   -0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2340    4.6091    0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3113    5.9551    1.0039 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386    6.7317    0.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3620    8.1848    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9644    6.1619   -0.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9866    3.6879    1.4637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8016    4.2046    2.4422 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3796    4.9449    4.7449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2871    4.0434    4.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1422   -0.2452   -0.8209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1252    0.3789   -1.5328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511    0.3971   -0.8789 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7432   -0.8628   -1.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8471   -1.0080   -0.3471 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4534   -2.3834   -0.5318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5577   -2.6291    0.3077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5041   -2.6130    1.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7243   -2.8886    2.5023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153   -2.3644    2.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8150    0.1049   -0.6338 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1363   -0.3502   -0.8044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1776    0.0860   -0.0059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5350   -0.4463   -0.2548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9553    0.9151    0.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3187    0.8958   -1.8476 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9266    0.0329   -2.9093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3869    0.2037   -4.2155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9693   -0.7088   -5.3322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1715    1.1636   -4.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890    1.5200   -1.3563 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3849    2.3400   -0.2435 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5782    4.6906    0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351    4.1574   -1.4267 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -1.6366   -0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4114   -2.2785   -1.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5451   -5.9246   -0.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1677   -7.2579   -1.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4078   -6.9817   -2.3224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198   -5.3704   -3.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1183   -6.5134   -3.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3425   -5.4607    0.2439 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4911   -4.8092    3.1281 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3416   -5.2172    1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0499   -6.2636    2.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137   -1.7701    1.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830    2.5033   -1.3068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8289    4.8517   -0.8039 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    8.4003    1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5090    8.7506    0.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2991    8.5591    0.0757 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9519    5.7390    4.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981    5.4193    5.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0720    4.1991    5.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4915    1.6756    1.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9758    0.3282    0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4397   -0.9646    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7263   -2.5823   -1.5811 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.4398   -3.0485    3.5657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4752   -2.1098    2.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1583   -3.8597    2.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8143    0.8243    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5887   -0.8083   -1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4178   -0.1694   -6.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2600    4.2136    1.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721    5.5981    0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6590    4.9742    1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0
  2  1  2  3
  2  4  1  0
  4  5  1  0
  5 57  2  0
 57 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 19 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 24 29  2  0
 15 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 34 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 40 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 47 49  2  0
 45 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 52 54  2  0
 30 55  1  0
 55 56  2  0
 13 12  2  0
 12  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  7  6  2  0
  6  5  1  0
 55 57  1  0
 29 16  1  0
 50 32  1  0
  3 60  1  0
  3 61  1  0
  3 62  1  0
  1 58  1  0
  1 59  1  0
 17 68  1  0
 18 69  1  0
 22 70  1  0
 22 71  1  0
 22 72  1  0
 27 73  1  0
 27 74  1  0
 27 75  1  0
 29 76  1  0
 32 77  1  1
 34 78  1  1
 35 79  1  0
 35 80  1  0
 38 81  1  0
 38 82  1  0
 38 83  1  0
 40 84  1  1
 43 85  1  0
 43 86  1  0
 43 87  1  0
 45 88  1  6
 48 89  1  0
 48 90  1  0
 48 91  1  0
 50 92  1  6
 53 93  1  0
 53 94  1  0
 53 95  1  0
 12 67  1  0
 10 64  1  0
 10 65  1  0
 10 66  1  0
  6 63  1  0
M  END


  Mrv1652309022204382D          

 57 60  0  0  1  0            999 V2000
    0.0000   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    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
    1.4289   -1.6500    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   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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    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
    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 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    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
    7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    1.2375    0.0000 O   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    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  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  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
    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
    4.2868   -1.6500    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
    3.5724   -2.8875    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
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    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
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    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
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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
    5.0013   -1.2375    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
    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  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
  7 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 24 29  2  0  0  0  0
 16 29  1  0  0  0  0
 15 30  2  0  0  0  0
 30 31  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 34 40  1  0  0  0  0
 40 41  1  1  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 40 45  1  0  0  0  0
 45 46  1  1  0  0  0
 46 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 45 50  1  0  0  0  0
 32 50  1  0  0  0  0
 50 51  1  6  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  2  0  0  0  0
 30 55  1  0  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
  5 57  2  0  0  0  0
 13 57  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0147104

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=C)OC1=C2C(OC(C3=CC=C(OC(C)=O)C(OC(C)=O)=C3)=C(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)=CC(OC(C)=O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C38H38O19/c1-16(2)48-28-13-25(49-18(4)40)14-29-31(28)32(46)35(33(55-29)24-10-11-26(50-19(5)41)27(12-24)51-20(6)42)57-38-37(54-23(9)45)36(53-22(8)44)34(52-21(7)43)30(56-38)15-47-17(3)39/h10-14,30,34,36-38H,1,15H2,2-9H3/t30-,34+,36+,37-,38+/m1/s1

> <INCHI_KEY>
VMAPCZGMIAGZBE-MVNJUIESSA-N

> <FORMULA>
C38H38O19

> <MOLECULAR_WEIGHT>
798.703

> <EXACT_MASS>
798.200729004

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
77.9321953866585

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)-4H-chromen-3-yl]oxy}oxan-2-yl]methyl acetate

> <ALOGPS_LOGP>
3.27

> <JCHEM_LOGP>
1.4250530660000025

> <ALOGPS_LOGS>
-4.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.2564670699165275

> <JCHEM_POLAR_SURFACE_AREA>
238.08999999999997

> <JCHEM_REFRACTIVITY>
187.32960000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
20

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      13.337   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      13.337  -0.000   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      14.670   2.310   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.001 -11.550   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      12.003  -5.390   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   57                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   12                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12    7   13                                                       
CONECT   13   12   14   57                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   30                                                  
CONECT   16   15   17   29                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   19   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   24   16                                                       
CONECT   30   15   31   55                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   50                                                  
CONECT   33   32   34                                                       
CONECT   34   33   35   40                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   34   41   45                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   40   46   50                                                  
CONECT   46   45   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47                                                            
CONECT   50   45   32   51                                                  
CONECT   51   50   52                                                       
CONECT   52   51   53   54                                                  
CONECT   53   52                                                            
CONECT   54   52                                                            
CONECT   55   30   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55    5   13                                                  
MASTER        0    0    0    0    0    0    0    0   57    0  120    0
END

View in JSmol

Synonyms

Value	Source
[(2R,3S,4S,5R,6S)-3,4,5-Tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)-4H-chromen-3-yl]oxy}oxan-2-yl]methyl acetic acid	Generator

Chemical Formula

C₃₈H₃₈O₁₉

Average Mass

798.7030 Da

Monoisotopic Mass

798.20073 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(=C)OC1=C2C(OC(C3=CC=C(OC(C)=O)C(OC(C)=O)=C3)=C(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C2=O)=CC(OC(C)=O)=C1

InChI Identifier

InChI=1S/C38H38O19/c1-16(2)48-28-13-25(49-18(4)40)14-29-31(28)32(46)35(33(55-29)24-10-11-26(50-19(5)41)27(12-24)51-20(6)42)57-38-37(54-23(9)45)36(53-22(8)44)34(52-21(7)43)30(56-38)15-47-17(3)39/h10-14,30,34,36-38H,1,15H2,2-9H3/t30-,34+,36+,37-,38+/m1/s1

InChI Key

VMAPCZGMIAGZBE-MVNJUIESSA-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
Consolida oliveriana	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
Flavone
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
Phenol ester
1-benzopyran
Phenoxy compound
Pyranone
Benzenoid
Monosaccharide
Oxane
Pyran
Monocyclic benzene moiety
Vinylogous ester
Heteroaromatic compound
Carboxylic acid ester
Organoheterocyclic compound
Oxacycle
Carboxylic acid derivative
Acetal
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
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	3.27	ALOGPS
logS	-4.8	ALOGPS

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

162902251

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate (NP0147104)

MOL for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

3D MOL for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

3D SDF for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

3D-SDF for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

PDB for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

3D PDB for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

SMILES for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

INCHI for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

Structure for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)

3D Structure for NP0147104 ([(2r,3s,4s,5r,6s)-3,4,5-tris(acetyloxy)-6-{[7-(acetyloxy)-2-[3,4-bis(acetyloxy)phenyl]-4-oxo-5-(prop-1-en-2-yloxy)chromen-3-yl]oxy}oxan-2-yl]methyl acetate)