NP-MRD: Showing NP-Card for Desgalloyl theaflavonin (NP0056153)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-28 02:00:54 UTC

Updated at

2022-04-28 02:00:55 UTC

NP-MRD ID

NP0056153

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Desgalloyl theaflavonin

Description

Desgalloyltheaflavonin belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin. Desgalloyl theaflavonin is found in Camellia sinensis var. assamica . Based on a literature review very few articles have been published on Desgalloyltheaflavonin.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282204002D          

 56 62  0  0  1  0            999 V2000
    3.3162   -3.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878   -3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -2.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901   -2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -3.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316   -4.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339   -3.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -3.3852    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6923   -2.5782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4770   -2.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2638   -3.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4353   -4.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200   -4.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615   -3.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769   -3.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -3.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -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
    0.0000   -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
    0.4849    0.6674    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  2  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
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   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
   -2.8579    0.8250    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
    2.1434   -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
    2.9504   -1.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820   -3.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177   -4.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915   -5.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462   -1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -4.5314    0.0000 O   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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  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
  4 10  1  0  0  0  0
  9 11  1  6  0  0  0
  8 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  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  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 27 33  2  0  0  0  0
 33 34  1  0  0  0  0
 35 34  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
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 40  1  0  0  0  0
 39 41  1  1  0  0  0
 41 42  1  0  0  0  0
 38 43  1  6  0  0  0
 37 44  1  1  0  0  0
 36 45  1  6  0  0  0
 30 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 29 49  2  0  0  0  0
 48 50  1  0  0  0  0
 46 51  1  0  0  0  0
 16 52  1  0  0  0  0
 15 53  1  0  0  0  0
 14 54  1  0  0  0  0
  3 55  1  0  0  0  0
  1 56  1  0  0  0  0
M  END

     RDKit          3D

 88 94  0  0  0  0  0  0  0  0999 V2000
   -4.1274   -1.5785   -1.2942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0033   -2.0541   -1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -1.6656    0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7374   -0.7005    0.9054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6603    0.6852    0.8420 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7280    1.2015    1.7770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911    2.5422    1.5278 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5177    3.2264    2.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5045    4.5794    1.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8861    3.3159    1.8289 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6216    4.6451    1.4976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9640    2.7576    0.9156 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1979    3.2914    1.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0125    1.2586    1.1765 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0003    0.7178    0.4001 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9895   -2.2663    0.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1461   -1.8919    1.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7086   -1.6819    2.6490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151   -1.3200    3.6951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4103   -1.0943    4.9625 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4765   -1.1749    3.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -0.8139    4.5575 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0363   -1.3897    2.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4021   -1.2582    2.0310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -1.7493    1.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -2.0551   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348   -1.0772   -1.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4365    0.3521   -0.7992 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1435    0.8527    0.2926 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5550    2.1549    0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4218    2.5386    1.4129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377    3.8434    1.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    4.1697    2.5598 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3954    4.7607    0.5968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5372    4.3870   -0.4222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1089    5.3428   -1.3311 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1058    3.0916   -0.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811    2.6280   -1.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6626    1.2056   -2.0012 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0499    1.3883   -2.2313 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198   -1.4019   -2.3368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7020   -2.7136   -2.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1797   -3.0000   -3.8864 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6017   -3.6814   -1.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889   -5.0057   -1.9164 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1304   -3.3916   -0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0148   -4.3406    0.6256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6143   -3.1741   -0.5505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3022   -3.5732   -1.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448   -4.5474   -2.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5517   -4.9822   -3.5584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668   -5.9713   -4.4219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7843   -4.4333   -3.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676   -3.4584   -2.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5014   -2.8833   -3.2323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442   -3.0357   -1.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3209    1.1100   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054    2.7392    0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7991    3.2459    3.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4696    2.7689    2.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3624    4.6731    0.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1641    3.2280    2.8965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4532    5.1905    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7013    2.9834   -0.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7528    2.6308    1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2322    1.1413    2.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4989   -0.0327    0.8260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7890   -1.8039    2.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4136   -1.2014    5.1029 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624   -0.6817    4.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0624   -1.0036    2.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3235    0.3862   -0.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7742    1.8013    2.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7002    4.0803    2.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7200    5.7819    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    6.3102   -1.2612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1511    2.6622   -1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887    3.2904   -2.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    0.9094   -2.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    1.6442   -3.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3854   -0.6298   -3.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -2.2977   -4.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3460   -5.2876   -2.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2874   -5.2780    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151   -5.0009   -2.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2868   -6.9584   -4.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3295   -4.7864   -4.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0355   -3.1865   -4.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3 16  2  0
 16 48  1  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  1  0
 51 53  2  0
 53 54  1  0
 54 55  1  0
 54 56  2  0
 56  2  1  0
  2  1  2  0
 16 17  1  0
 17 25  1  0
 25 23  2  0
 23 24  1  0
 23 21  1  0
 21 22  1  0
 21 19  2  0
 19 20  1  0
 19 18  1  0
 25 26  1  0
 26 46  2  0
 46 47  1  0
 46 44  1  0
 44 45  1  0
 44 42  2  0
 42 43  1  0
 42 41  1  0
 41 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
  5 14  1  0
 14 15  1  0
 14 12  1  0
 12 13  1  0
 12 10  1  0
 10 11  1  0
 10  7  1  0
  2  3  1  0
 18 17  2  0
 27 26  1  0
 39 28  1  0
 56 49  1  0
 37 30  1  0
  9 61  1  0
  8 59  1  0
  8 60  1  0
  7 58  1  6
  5 57  1  6
 50 85  1  0
 52 86  1  0
 53 87  1  0
 55 88  1  0
 24 71  1  0
 22 70  1  0
 20 69  1  0
 18 68  1  0
 47 84  1  0
 45 83  1  0
 43 82  1  0
 41 81  1  0
 28 72  1  1
 31 73  1  0
 33 74  1  0
 34 75  1  0
 36 76  1  0
 38 77  1  0
 38 78  1  0
 39 79  1  6
 40 80  1  0
 14 66  1  1
 15 67  1  0
 12 64  1  6
 13 65  1  0
 10 62  1  1
 11 63  1  0
M  END


  Mrv1652304282204002D          

 56 62  0  0  1  0            999 V2000
    3.3162   -3.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878   -3.1724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -2.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901   -2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9185   -3.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5316   -4.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1339   -3.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -3.3852    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6923   -2.5782    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4770   -2.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0792   -2.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2638   -3.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4353   -4.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2200   -4.7020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615   -3.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8769   -3.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -3.1424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -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
    0.0000   -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
    0.4849    0.6674    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  2  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
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 O   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
   -2.8579    0.8250    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
    2.1434   -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
    2.9504   -1.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    0.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4820   -3.2568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6177   -4.4049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3915   -5.5090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462   -1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9293   -4.5314    0.0000 O   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
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  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
  4 10  1  0  0  0  0
  9 11  1  6  0  0  0
  8 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  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  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 26  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 27 33  2  0  0  0  0
 33 34  1  0  0  0  0
 35 34  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
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 35 40  1  0  0  0  0
 39 41  1  1  0  0  0
 41 42  1  0  0  0  0
 38 43  1  6  0  0  0
 37 44  1  1  0  0  0
 36 45  1  6  0  0  0
 30 46  2  0  0  0  0
 46 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 29 49  2  0  0  0  0
 48 50  1  0  0  0  0
 46 51  1  0  0  0  0
 16 52  1  0  0  0  0
 15 53  1  0  0  0  0
 14 54  1  0  0  0  0
  3 55  1  0  0  0  0
  1 56  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0056153

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H32O20/c37-8-21-27(47)31(51)32(52)36(55-21)56-35-30(50)24-15(41)2-10(39)4-20(24)54-34(35)13-7-17(43)26(46)29(49)23(13)22-12(6-16(42)25(45)28(22)48)33-18(44)5-11-14(40)1-9(38)3-19(11)53-33/h1-4,6-7,18,21,27,31-33,36-49,51-52H,5,8H2/t18-,21-,27-,31+,32-,33-,36+/m1/s1

> <INCHI_KEY>
KJHVUKFVUVEKRC-SWKKFTKVSA-N

> <FORMULA>
C36H32O20

> <MOLECULAR_WEIGHT>
784.632

> <EXACT_MASS>
784.14869343

> <JCHEM_ACCEPTOR_COUNT>
20

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
72.48666297904494

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
15

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2',3',4,4',5,6-hexahydroxy-6'-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
2.00

> <JCHEM_LOGP>
0.7171206219999995

> <ALOGPS_LOGS>
-2.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.586076820768843

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.35876338187137

> <JCHEM_PKA_STRONGEST_BASIC>
-6.029704857116635

> <JCHEM_POLAR_SURFACE_AREA>
357.44000000000005

> <JCHEM_REFRACTIVITY>
186.31520000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.83e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{2',3',4,4',5,6-hexahydroxy-6'-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       6.190  -7.428   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.510  -5.922   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.366  -4.891   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.901  -5.367   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.581  -6.874   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.726  -7.904   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.117  -7.349   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       0.972  -6.319   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.292  -4.813   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.757  -4.337   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.148  -3.782   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.492  -6.795   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.813  -8.301   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.277  -8.777   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.422  -7.747   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.102  -6.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.637  -5.764   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -5.466  -5.866   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       0.905   1.246   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       0.000   6.160   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -2.667   6.160   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      -5.335   4.620   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0       5.507  -2.630   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       4.132   0.476   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -4.633  -6.079   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -4.886  -8.223   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      -2.597 -10.283   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0       5.686  -3.385   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0       7.335  -8.459   0.000  0.00  0.00           O+0
CONECT    1    2    6   56                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   55                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9   12                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9    4                                                       
CONECT   11    9                                                            
CONECT   12    8   13   17                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   54                                                  
CONECT   15   14   16   53                                                  
CONECT   16   15   17   52                                                  
CONECT   17   16   12   18                                                  
CONECT   18   17   19   23                                                  
CONECT   19   18   20   27                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23   25                                                  
CONECT   23   22   18   24                                                  
CONECT   24   23                                                            
CONECT   25   22                                                            
CONECT   26   21                                                            
CONECT   27   19   28   33                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   49                                                  
CONECT   30   29   31   46                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   27   34                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   40                                                  
CONECT   36   35   37   45                                                  
CONECT   37   36   38   44                                                  
CONECT   38   37   39   43                                                  
CONECT   39   38   40   41                                                  
CONECT   40   39   35                                                       
CONECT   41   39   42                                                       
CONECT   42   41                                                            
CONECT   43   38                                                            
CONECT   44   37                                                            
CONECT   45   36                                                            
CONECT   46   30   47   51                                                  
CONECT   47   46   48                                                       
CONECT   48   47   49   50                                                  
CONECT   49   48   29                                                       
CONECT   50   48                                                            
CONECT   51   46                                                            
CONECT   52   16                                                            
CONECT   53   15                                                            
CONECT   54   14                                                            
CONECT   55    3                                                            
CONECT   56    1                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  124    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₆H₃₂O₂₀

Average Mass

784.6320 Da

Monoisotopic Mass

784.14869 Da

IUPAC Name

2-{2',3',4,4',5,6-hexahydroxy-6'-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-[1,1'-biphenyl]-2-yl}-5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=C(C(O)=C(O)C(O)=C2)C2=C(O)C(O)=C(O)C=C2[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C36H32O20/c37-8-21-27(47)31(51)32(52)36(55-21)56-35-30(50)24-15(41)2-10(39)4-20(24)54-34(35)13-7-17(43)26(46)29(49)23(13)22-12(6-16(42)25(45)28(22)48)33-18(44)5-11-14(40)1-9(38)3-19(11)53-33/h1-4,6-7,18,21,27,31-33,36-49,51-52H,5,8H2/t18-,21-,27-,31+,32-,33-,36+/m1/s1

InChI Key

KJHVUKFVUVEKRC-SWKKFTKVSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Camellia sinensis var. assamica	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Tannins

Sub Class

Complex tannins

Direct Parent

Complex tannins

Alternative Parents

Substituents

Complex tannin
Flavonoid o-glycoside
Epigallocatechin
Flavonoid-3-o-glycoside
Catechin
Hydroxyflavonoid
3'-hydroxyflavonoid
Flavone
Flavan-3-ol
3-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavan
Biphenol
Hexose monosaccharide
Biphenyl
O-glycosyl compound
Chromone
Glycosyl compound
Chromane
Benzopyran
1-benzopyran
Pyrogallol derivative
Benzenetriol
Phenol
Pyranone
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Oxane
Monosaccharide
Pyran
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Polyol
Acetal
Ether
Organoheterocyclic compound
Oxacycle
Alcohol
Organooxygen compound
Primary alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
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	2	ALOGPS
logP	0.72	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.36	ChemAxon
pKa (Strongest Basic)	-6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	20	ChemAxon
Hydrogen Donor Count	15	ChemAxon
Polar Surface Area	357.44 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	186.32 m³·mol⁻¹	ChemAxon
Polarizability	72.49 Å³	ChemAxon
Number of Rings	7	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

15673895

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Desgalloyl theaflavonin (NP0056153)

MOL for NP0056153 (Desgalloyl theaflavonin)

3D MOL for NP0056153 (Desgalloyl theaflavonin)

3D SDF for NP0056153 (Desgalloyl theaflavonin)

3D-SDF for NP0056153 (Desgalloyl theaflavonin)

PDB for NP0056153 (Desgalloyl theaflavonin)

3D PDB for NP0056153 (Desgalloyl theaflavonin)

SMILES for NP0056153 (Desgalloyl theaflavonin)

INCHI for NP0056153 (Desgalloyl theaflavonin)

Structure for NP0056153 (Desgalloyl theaflavonin)

3D Structure for NP0056153 (Desgalloyl theaflavonin)