NP-MRD: Showing NP-Card for [(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate (NP0274760)

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Record Information

Version

2.0

Created at

2022-09-08 22:15:52 UTC

Updated at

2022-09-08 22:15:53 UTC

NP-MRD ID

NP0274760

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate

Description

[(2R,3R,4R,5S)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate belongs to the class of organic compounds known as gallic acid and derivatives. Gallic acid and derivatives are compounds containing a 3,4,5-trihydroxybenzoic acid moiety. [(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate is found in Hamamelis virginiana. Based on a literature review very few articles have been published on [(2R,3R,4R,5S)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092200152D          

 61 63  0  0  1  0            999 V2000
    0.3283   -7.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6639   -8.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789   -8.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843   -8.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -7.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337   -6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186   -6.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7831   -5.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -5.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -4.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9324   -3.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174   -3.3093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2424   -3.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -2.5247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2819   -2.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8950   -2.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6796   -2.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7235   -3.6288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8299   -2.0398    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3819   -1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1889   -1.5982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7409   -0.9851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4860   -0.2005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5479   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0999   -0.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069   -0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4589   -0.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2040    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970    0.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7560    1.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1618   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9688   -1.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659   -0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3278   -1.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6098   -2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8647   -2.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3127   -3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676   -4.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5057   -3.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8028   -1.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778   -1.4267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328   -0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3397   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -0.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -2.5247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3778   -2.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7647   -2.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -3.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199   -2.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -6.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747   -6.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952   -7.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5801   -6.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2445   -5.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4006   -6.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897   -7.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253   -8.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6404   -9.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199   -8.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -9.8337    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 26 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  2  0  0  0  0
 24 41  1  0  0  0  0
 19 42  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 19 46  1  0  0  0  0
 12 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  2  0  0  0  0
  7 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
 52 57  2  0  0  0  0
  5 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  2  0  0  0  0
M  END

     RDKit          3D

 99101  0  0  0  0  0  0  0  0999 V2000
    7.8664    5.1801    0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    3.7242    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665    3.2194   -0.9562 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9648    2.8993    0.9835 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8535    1.5568    0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7547    1.1518   -0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5966   -0.1588   -0.5288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4412   -0.5700   -1.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440   -1.7640   -1.6877 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4955    0.3452   -1.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653    0.1127   -2.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4639   -0.8901   -1.7443 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0325   -0.5060   -0.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3319   -0.2478   -0.5846 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4884    1.0734   -1.0831 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591    2.0754   -0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    3.4570   -1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6716    1.7990    0.6874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8739   -1.1737   -1.6278 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0042   -0.4313   -2.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -0.1972   -1.6202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0136   -1.0476   -1.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8547   -2.2771   -1.1504 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1386   -0.4742   -0.2840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3249    0.8838   -0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4064    1.4082    0.5481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5118    2.7876    0.6077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1909    3.5388   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2758    5.0366   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7374    2.9248   -1.2751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2604    0.5222    1.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3450    1.0017    1.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5936    1.2284    1.2621 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6840    1.7438    2.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7663    0.9960    0.0417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1259   -0.8555    1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0434   -1.6950    1.6616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7929   -2.1084    2.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7431   -3.0175    3.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7374   -1.6964    3.5108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0358   -1.3280    0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544   -2.3723   -1.2335 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7876   -3.4229   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5445   -4.6702   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3953   -3.3024   -0.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2827   -1.2496   -2.5929 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3965   -2.5157   -3.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4846   -3.8403   -5.3362 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5220   -2.1937    2.8913 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    0.6006    0.9726 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8667    0.9953    1.7264 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8194    1.0694    3.0979 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9972    1.4928    3.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7644    0.7773    3.7129 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7744    5.3842    1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9167    5.4246    0.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1879    5.7731   -0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140    1.8855   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6697   -0.3682   -3.3993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8360    1.0403   -2.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -1.8305   -1.7173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8410   -0.2659    0.3754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407    3.6346   -1.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9871    4.2382   -0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724    3.4704   -1.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5636    0.5663   -2.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6110    1.5342   -0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1767   -3.4434    4.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2239   -3.7480    3.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9162   -2.4121    0.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5562   -4.3859    0.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6998   -5.2162   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0080   -5.2704    0.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -0.4375   -3.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1948   -4.6182   -4.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2327   -3.6821   -6.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -4.2547   -5.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450   -2.0986   -0.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243   -2.7568    2.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9304   -3.9717    1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554   -3.9536    3.3969 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9519    0.9263    4.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9617    1.1865    3.4409 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9815    2.5658    4.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 18  2  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  8  1  0
  8  9  2  0
  8  7  1  0
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  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  1  1  0
  2  3  2  0
  5 57  2  0
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 59 60  1  0
 59 61  2  0
 57 52  1  0
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 46 19  1  0
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 42 43  1  0
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 19 14  1  0
 41 24  1  0
 51  7  1  0
 17 70  1  0
 17 71  1  0
 17 72  1  0
 14 69  1  1
 12 68  1  1
 11 66  1  0
 11 67  1  0
  6 65  1  0
  1 62  1  0
  1 63  1  0
  1 64  1  0
 60 97  1  0
 60 98  1  0
 60 99  1  0
 55 94  1  0
 55 95  1  0
 55 96  1  0
 51 93  1  0
 46 89  1  6
 49 90  1  0
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 20 73  1  0
 20 74  1  0
 25 75  1  0
 29 76  1  0
 29 77  1  0
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 34 80  1  0
 34 81  1  0
 39 82  1  0
 39 83  1  0
 39 84  1  0
 41 85  1  0
 44 86  1  0
 44 87  1  0
 44 88  1  0
M  END


  Mrv1652309092200152D          

 61 63  0  0  1  0            999 V2000
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    0.6639   -8.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789   -8.8213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4843   -8.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9693   -7.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6337   -6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186   -6.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7831   -5.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9626   -5.3117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680   -4.7305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9324   -3.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4174   -3.3093    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.2424   -3.3093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4973   -2.5247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2819   -2.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6796   -2.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7235   -3.6288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3819   -1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5479   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0999   -0.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9069   -0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4589   -0.1020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2040    0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3970    0.8541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7560    1.2957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1618   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9688   -1.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5208   -1.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2659   -0.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3278   -1.2297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6098   -2.1128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8647   -2.8974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3127   -3.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5676   -4.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5057   -3.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8028   -1.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2778   -1.4267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328   -0.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3397   -0.4706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -0.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1624   -2.5247    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3778   -2.2698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7647   -2.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9362   -3.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0199   -2.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9391   -6.2378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747   -6.9915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952   -7.0777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5801   -6.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2445   -5.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4006   -6.4965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897   -7.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1253   -8.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6404   -9.0800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199   -8.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -9.8337    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  6  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  6  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 26 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 31 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 36 41  2  0  0  0  0
 24 41  1  0  0  0  0
 19 42  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  2  0  0  0  0
 19 46  1  0  0  0  0
 12 46  1  0  0  0  0
 46 47  1  1  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  2  0  0  0  0
  7 51  2  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54 56  2  0  0  0  0
 52 57  2  0  0  0  0
  5 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0274760

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)O[C@@H]1O[C@H](COC(=O)C2=CC(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C2)[C@@H](OC(C)=O)[C@@]1(COC(=O)C1=CC(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C1)OC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C38H38O23/c1-16(39)52-27-10-25(11-28(53-17(2)40)32(27)56-20(5)43)35(48)50-14-31-34(58-22(7)45)38(61-24(9)47,37(60-31)59-23(8)46)15-51-36(49)26-12-29(54-18(3)41)33(57-21(6)44)30(13-26)55-19(4)42/h10-13,31,34,37H,14-15H2,1-9H3/t31-,34-,37-,38-/m1/s1

> <INCHI_KEY>
KXWUWMDLMCSXOX-TVXPBAPMSA-N

> <FORMULA>
C38H38O23

> <MOLECULAR_WEIGHT>
862.699

> <EXACT_MASS>
862.180387484

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
99

> <JCHEM_AVERAGE_POLARIZABILITY>
82.26334317558322

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3R,4R,5S)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate

> <JCHEM_LOGP>
0.8890041999999985

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.392488851498006

> <JCHEM_POLAR_SURFACE_AREA>
298.53

> <JCHEM_REFRACTIVITY>
190.0357

> <JCHEM_ROTATABLE_BOND_COUNT>
26

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3R,4R,5S)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       0.613 -13.814   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.239 -15.221   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.334 -16.466   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       2.771 -15.382   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       3.676 -14.136   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.050 -12.729   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.955 -11.483   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.328 -10.076   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.797  -9.915   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.234  -8.830   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.607  -7.423   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.512  -6.177   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.052  -6.177   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.528  -4.713   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.993  -4.237   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.137  -5.267   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.602  -4.792   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.817  -6.774   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.282  -3.808   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.313  -2.663   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       7.819  -2.983   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       8.850  -1.839   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       8.374  -0.374   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.356  -2.159   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      11.386  -1.015   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.893  -1.335   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      13.923  -0.190   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      13.447   1.274   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      11.941   1.594   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      14.478   2.419   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      13.369  -2.799   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      14.875  -3.120   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      15.906  -1.975   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      15.430  -0.511   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      17.412  -2.295   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      12.338  -3.944   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.814  -5.409   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      11.784  -6.553   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      12.260  -8.018   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      10.277  -6.233   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      10.832  -3.624   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       4.252  -2.663   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       4.728  -1.199   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.234  -0.878   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0       3.697  -0.054   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       4.037  -4.713   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       2.572  -4.237   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       1.427  -5.267   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       1.748  -6.774   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -0.037  -4.792   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       5.486 -11.644   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       6.113 -13.051   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       7.644 -13.212   0.000  0.00  0.00           O+0
HETATM   54  C   UNK     0       8.549 -11.966   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       7.923 -10.559   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      10.081 -12.127   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       5.208 -14.297   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       5.834 -15.704   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0       4.929 -16.949   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       3.397 -16.788   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       5.555 -18.356   0.000  0.00  0.00           O+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   51                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   46                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19   14   20   42   46                                             
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   41                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   26   32   36                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
CONECT   36   31   37   41                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   36   24                                                       
CONECT   42   19   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46   19   12   47                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48                                                            
CONECT   51    7   52                                                       
CONECT   52   51   53   57                                                  
CONECT   53   52   54                                                       
CONECT   54   53   55   56                                                  
CONECT   55   54                                                            
CONECT   56   54                                                            
CONECT   57   52    5   58                                                  
CONECT   58   57   59                                                       
CONECT   59   58   60   61                                                  
CONECT   60   59                                                            
CONECT   61   59                                                            
MASTER        0    0    0    0    0    0    0    0   61    0  126    0
END

View in JSmol

Synonyms

Value	Source
[(2R,3R,4R,5S)-3,4,5-Tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoic acid	Generator

Chemical Formula

C₃₈H₃₈O₂₃

Average Mass

862.6990 Da

Monoisotopic Mass

862.18039 Da

IUPAC Name

[(2R,3R,4R,5S)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate

Traditional Name

[(2R,3R,4R,5S)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate

CAS Registry Number

Not Available

SMILES

CC(=O)O[C@@H]1O[C@H](COC(=O)C2=CC(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C2)[C@@H](OC(C)=O)[C@@]1(COC(=O)C1=CC(OC(C)=O)=C(OC(C)=O)C(OC(C)=O)=C1)OC(C)=O

InChI Identifier

InChI=1S/C38H38O23/c1-16(39)52-27-10-25(11-28(53-17(2)40)32(27)56-20(5)43)35(48)50-14-31-34(58-22(7)45)38(61-24(9)47,37(60-31)59-23(8)46)15-51-36(49)26-12-29(54-18(3)41)33(57-21(6)44)30(13-26)55-19(4)42/h10-13,31,34,37H,14-15H2,1-9H3/t31-,34-,37-,38-/m1/s1

InChI Key

KXWUWMDLMCSXOX-TVXPBAPMSA-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
Hamamelis virginiana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gallic acid and derivatives. Gallic acid and derivatives are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoic acids and derivatives

Direct Parent

Gallic acid and derivatives

Alternative Parents

Substituents

Gallic acid or derivatives
Benzoate ester
Phenol ester
Phenoxy compound
Benzoyl
Monosaccharide
Tetrahydrofuran
Carboxylic acid ester
Acetal
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	0.89	ChemAxon
pKa (Strongest Basic)	-4.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	298.53 Å²	ChemAxon
Rotatable Bond Count	26	ChemAxon
Refractivity	190.04 m³·mol⁻¹	ChemAxon
Polarizability	82.26 Å³	ChemAxon
Number of Rings	3	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

162987387

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate (NP0274760)

MOL for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

3D MOL for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

3D SDF for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

3D-SDF for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

PDB for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

3D PDB for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

SMILES for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

INCHI for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

Structure for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)

3D Structure for NP0274760 ([(2r,3r,4r,5s)-3,4,5-tris(acetyloxy)-4-{[3,4,5-tris(acetyloxy)benzoyloxy]methyl}oxolan-2-yl]methyl 3,4,5-tris(acetyloxy)benzoate)