NP-MRD: Showing NP-Card for Withanamide G (NP0068632)

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Record Information

Version

2.0

Created at

2022-04-28 13:53:02 UTC

Updated at

2022-04-28 13:53:02 UTC

NP-MRD ID

NP0068632

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Withanamide G

Description

(9Z,15R)-15-hydroxy-N-[2-(5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]hexadec-9-enimidic acid belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Withanamide G is found in Withania somnifera . Based on a literature review very few articles have been published on (9Z,15R)-15-hydroxy-N-[2-(5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]hexadec-9-enimidic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282215532D          

 53 56  0  0  1  0            999 V2000
   -1.2107   -4.3814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4037   -4.2099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1488   -3.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -3.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131   -2.4691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3611   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -1.0714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0640   -0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3190    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    1.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259    0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    2.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2413    2.6100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8490    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    1.2055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    2.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9937    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7082    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7082    2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9937    2.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9937    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    4.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    4.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648    5.3305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5648    6.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    4.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230   -0.8999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6780   -0.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.5130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7201   -2.2976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2721   -2.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -1.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -4.8230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9553   -4.6515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1066   -5.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9136   -5.7791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4656   -5.1661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2726   -5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5275   -6.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1685   -6.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  6  0  0  0
  7 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
  5 42  1  0  0  0  0
 42 43  1  6  0  0  0
 41 44  1  6  0  0  0
  2 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
  1 49  1  0  0  0  0
 49 50  1  1  0  0  0
 50 51  1  0  0  0  0
 48 52  1  6  0  0  0
 47 53  1  1  0  0  0
M  END

     RDKit          3D

113116  0  0  0  0  0  0  0  0999 V2000
   14.1473   -2.8207    2.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8132   -2.1521    2.1042 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8045   -3.1180    2.2954 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5687   -0.9917    2.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3483   -0.2255    2.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0834   -1.0045    2.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8974   -0.0315    2.4738 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6473   -0.7828    2.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8352   -0.8425    1.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0816   -0.1641    0.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2112   -1.0371   -1.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1154   -1.8887   -1.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7978   -1.3741   -1.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7541   -0.4206   -3.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2412    0.9556   -2.8022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3612    1.7878   -1.8792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300    2.0223   -2.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692    1.6621   -3.7508 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8949    2.5755   -1.9420 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039    2.7559   -2.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1422    1.4772   -3.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0454    1.8464   -4.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0394    2.0222   -5.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2791    2.4077   -5.8595 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502    2.4790   -4.7747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3584    2.8138   -4.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9541    2.8090   -3.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2400    2.4568   -2.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9066    2.4730   -1.0691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6117    2.1270    0.2324 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3623    0.9874    0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7046    1.2153    0.3256 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5727    0.0043    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6809   -0.6686    1.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4677   -1.7951    1.4263 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.5931   -1.5935    2.2732 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5917   -2.3766    1.6874 C   0  0  2  0  0  0  0  0  0  0  0  0
  -11.8855   -2.1312    2.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1870   -0.7780    2.2457 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1939   -3.8324    1.6201 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.4125   -4.3541    0.3405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8388   -4.1389    2.1551 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.9154   -4.5348    3.4866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8116   -3.0644    1.9041 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.1954   -2.8366    3.1569 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2593    2.3836    1.0894 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.1230    1.8196    2.0646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2583    3.2220    1.7981 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.0341    2.8154    3.1363 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9138    3.2917    1.1244 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.9010    4.4473    0.3494 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9122    2.1212   -2.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2897    2.1226   -3.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0363   -3.9169    2.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9140   -2.3926    1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3280   -2.5249    3.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8222   -1.8890    1.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1020   -3.9002    1.7494 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6297   -1.3490    4.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4420   -0.2617    2.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4084    0.3003    1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2345    0.6005    3.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8974   -1.4222    3.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0791   -1.7917    2.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9213    0.6351    3.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1258    0.6013    1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3599   -1.3375    3.4108 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9237   -1.4299    1.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1876    0.5123   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9300    0.5520    0.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0832   -1.7889   -0.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6831   -0.4816   -1.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5146   -2.6137   -2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8658   -2.6245   -0.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2145   -2.2919   -2.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2089   -1.0451   -0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7558   -0.4568   -3.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4410   -0.8678   -3.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1039    1.4798   -3.8149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2745    1.1318   -2.5549 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2517    1.3814   -0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    2.7822   -1.7967 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8525    2.8773   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661    3.3179   -2.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9527    3.4114   -3.6204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    0.8717   -3.8765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530    0.8698   -2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1791    1.8702   -6.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5886    2.6144   -6.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9311    3.0903   -5.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9952    3.0879   -3.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5686    1.8501    0.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6749    1.5724   -0.7491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6409    0.2707    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2800   -0.6962   -0.4976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8292   -1.9729    0.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6892   -1.9988    0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7579   -2.3365    3.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7088   -2.7738    2.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3571   -0.2508    2.1353 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9382   -4.3731    2.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0685   -3.7480   -0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4552   -5.0479    1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5051   -3.8460    3.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9931   -3.3720    1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2081   -2.7712    3.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9737    2.9634    0.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0412    1.7002    1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6922    4.2650    1.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8571    2.3721    3.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778    3.4182    1.8713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4191    5.1822    0.8269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162    1.8485   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
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  5  6  1  0
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 27 91  1  0
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 33 94  1  0
 33 95  1  0
 35 96  1  6
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 38 98  1  0
 38 99  1  0
 39100  1  0
 40101  1  1
 41102  1  0
 42103  1  6
 43104  1  0
 44105  1  6
 45106  1  0
 46107  1  6
 47108  1  0
 48109  1  1
 49110  1  0
 50111  1  1
 51112  1  0
 52113  1  0
M  END


  Mrv1652304282215532D          

 53 56  0  0  1  0            999 V2000
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   -0.4037   -4.2099    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1488   -3.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6582   -3.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131   -2.4691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3611   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6160   -1.0714    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0640   -0.4583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3190    0.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331    0.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0219    1.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    1.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3809    1.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259    0.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1345    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0483    2.4385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8490    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5635    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780    1.2055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9924    2.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1358    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9937    1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7082    1.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7082    2.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9937    2.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9937    3.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    4.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792    4.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5648    5.3305    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5648    6.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8503    4.9180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230   -0.8999    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6780   -0.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9750   -1.5130    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7201   -2.2976    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2721   -2.9107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7820   -1.3415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -4.8230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9553   -4.6515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1066   -5.6076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9136   -5.7791    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4656   -5.1661    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2726   -5.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5275   -6.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1685   -6.5638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -6.2207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  9 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 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
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 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
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  6  0  0  0
  7 39  1  0  0  0  0
 39 40  1  1  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
  5 42  1  0  0  0  0
 42 43  1  6  0  0  0
 41 44  1  6  0  0  0
  2 45  1  0  0  0  0
 45 46  1  1  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
  1 49  1  0  0  0  0
 49 50  1  1  0  0  0
 50 51  1  0  0  0  0
 48 52  1  6  0  0  0
 47 53  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0068632

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](O)CCCC\C=C/CCCCCCCC(=O)NCCC1=CNC2=CC=C(O[C@@H]3O[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)C=C12

> <INCHI_IDENTIFIER>
InChI=1S/C38H60N2O13/c1-23(42)13-11-9-7-5-3-2-4-6-8-10-12-14-30(43)39-18-17-24-20-40-27-16-15-25(19-26(24)27)51-38-36(49)34(47)32(45)29(53-38)22-50-37-35(48)33(46)31(44)28(21-41)52-37/h3,5,15-16,19-20,23,28-29,31-38,40-42,44-49H,2,4,6-14,17-18,21-22H2,1H3,(H,39,43)/b5-3-/t23-,28-,29+,31-,32-,33+,34-,35+,36+,37-,38-/m1/s1

> <INCHI_KEY>
ZOHQQMBSUYRNTF-WCJBCWPUSA-N

> <FORMULA>
C38H60N2O13

> <MOLECULAR_WEIGHT>
752.899

> <EXACT_MASS>
752.40954

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
113

> <JCHEM_AVERAGE_POLARIZABILITY>
82.3748446932841

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9Z,15R)-15-hydroxy-N-[2-(5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]hexadec-9-enamide

> <ALOGPS_LOGP>
2.64

> <JCHEM_LOGP>
1.6161495706666669

> <ALOGPS_LOGS>
-4.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.427962805159481

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.905219418383329

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083422322401

> <JCHEM_POLAR_SURFACE_AREA>
243.64999999999995

> <JCHEM_REFRACTIVITY>
193.65830000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.61e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(9Z,15R)-15-hydroxy-N-[2-(5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]hexadec-9-enamide

> <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  O   UNK     0      -2.260  -8.179   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.754  -7.858   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.278  -6.394   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.229  -6.074   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.705  -4.609   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.674  -3.465   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.150  -2.000   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.119  -0.856   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.595   0.609   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.435   1.754   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.041   3.218   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.547   3.538   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.578   2.394   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.102   0.929   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.984   3.020   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.823   4.552   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0       2.317   4.872   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       5.318   2.250   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.652   3.020   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0       7.986   2.250   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0       9.319   3.020   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.319   4.560   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      10.653   2.250   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.987   3.020   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.320   2.250   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.654   3.020   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.988   2.250   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      17.321   3.020   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.655   2.250   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      19.989   3.020   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      19.989   4.560   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.655   5.330   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.655   6.870   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      17.321   7.640   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.321   9.180   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.988   9.950   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      15.988  11.490   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.654   9.180   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       2.656  -1.680   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       3.132  -0.215   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       3.687  -2.824   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       3.211  -4.289   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       4.241  -5.433   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       5.193  -2.504   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       0.277  -9.003   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       1.783  -8.683   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -0.199 -10.468   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -1.705 -10.788   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -2.736  -9.643   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      -4.242  -9.963   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0      -4.718 -11.428   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -2.181 -12.252   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0       0.831 -11.612   0.000  0.00  0.00           O+0
CONECT    1    2   49                                                       
CONECT    2    1    3   45                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   42                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   39                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13    9                                                       
CONECT   15   13   16   18                                                  
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18   15   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39    7   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   44                                                  
CONECT   42   41    5   43                                                  
CONECT   43   42                                                            
CONECT   44   41                                                            
CONECT   45    2   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48   53                                                  
CONECT   48   47   49   52                                                  
CONECT   49   48    1   50                                                  
CONECT   50   49   51                                                       
CONECT   51   50                                                            
CONECT   52   48                                                            
CONECT   53   47                                                            
MASTER        0    0    0    0    0    0    0    0   53    0  112    0
END

View in JSmol

Synonyms

Value	Source
(9Z,15R)-15-Hydroxy-N-[2-(5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]hexadec-9-enimidate	Generator

Chemical Formula

C₃₈H₆₀N₂O₁₃

Average Mass

752.8990 Da

Monoisotopic Mass

752.40954 Da

IUPAC Name

(9Z,15R)-15-hydroxy-N-[2-(5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]hexadec-9-enamide

Traditional Name

(9Z,15R)-15-hydroxy-N-[2-(5-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-({[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-1H-indol-3-yl)ethyl]hexadec-9-enamide

CAS Registry Number

Not Available

SMILES

C[C@@H](O)CCCC\C=C/CCCCCCCC(=O)NCCC1=CNC2=CC=C(O[C@@H]3O[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@@H](O)[C@@H]3O)C=C12

InChI Identifier

InChI=1S/C38H60N2O13/c1-23(42)13-11-9-7-5-3-2-4-6-8-10-12-14-30(43)39-18-17-24-20-40-27-16-15-25(19-26(24)27)51-38-36(49)34(47)32(45)29(53-38)22-50-37-35(48)33(46)31(44)28(21-41)52-37/h3,5,15-16,19-20,23,28-29,31-38,40-42,44-49H,2,4,6-14,17-18,21-22H2,1H3,(H,39,43)/b5-3-/t23-,28-,29+,31-,32-,33+,34-,35+,36+,37-,38-/m1/s1

InChI Key

ZOHQQMBSUYRNTF-WCJBCWPUSA-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
Withania somnifera	Plant	KNApSAcK

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Phenolic glycosides

Alternative Parents

Substituents

Phenolic glycoside
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Alkyl glycoside
O-glycosyl compound
Disaccharide
3-alkylindole
Indole or derivatives
Indole
Fatty acyl
Benzenoid
Substituted pyrrole
Oxane
Heteroaromatic compound
Pyrrole
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Polyol
Carboximidic acid derivative
Carboximidic acid
Acetal
Organic nitrogen compound
Organopnictogen compound
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	2.64	ALOGPS
logP	1.62	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	243.65 Å²	ChemAxon
Rotatable Bond Count	22	ChemAxon
Refractivity	193.66 m³·mol⁻¹	ChemAxon
Polarizability	82.37 Å³	ChemAxon
Number of Rings	4	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

162881263

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Withanamide G (NP0068632)

MOL for NP0068632 (Withanamide G)

3D MOL for NP0068632 (Withanamide G)

3D SDF for NP0068632 (Withanamide G)

3D-SDF for NP0068632 (Withanamide G)

PDB for NP0068632 (Withanamide G)

3D PDB for NP0068632 (Withanamide G)

SMILES for NP0068632 (Withanamide G)

INCHI for NP0068632 (Withanamide G)

Structure for NP0068632 (Withanamide G)

3D Structure for NP0068632 (Withanamide G)