NP-MRD: Showing NP-Card for (3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione (NP0152310)

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Record Information

Version

2.0

Created at

2022-09-02 08:45:26 UTC

Updated at

2022-09-02 08:45:26 UTC

NP-MRD ID

NP0152310

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

Description

(3R,4S,5S,6S,7S,9R,11R,12S,13R,14R)-14-cyclopropyl-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. (3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione is found in Saccharopolyspora erythraea. Based on a literature review very few articles have been published on (3R,4S,5S,6S,7S,9R,11R,12S,13R,14R)-14-cyclopropyl-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309022210452D          

 50 53  0  0  1  0            999 V2000
   -2.7717    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592    1.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8986    1.4570    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
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8205    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  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
   -0.7145    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  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
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   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
    2.8579    0.0000    0.0000 C   0  0  2  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
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  2  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  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  6  0  0  0
 11 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 40  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
  8 44  1  0  0  0  0
 44 45  1  6  0  0  0
  6 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  0  0  0  0
  3 49  1  0  0  0  0
 49 50  1  6  0  0  0
M  END

     RDKit          3D

117120  0  0  0  0  0  0  0  0999 V2000
   -5.6682    5.6851   -1.5066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1160    4.5996   -0.8429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0464    4.0395   -1.5385 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5875    3.5868   -2.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5653    2.8585   -0.7257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3243    2.2743   -1.2486 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2580    2.1520   -0.3959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6888    0.8797   -0.3353 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7001    1.0197   -0.8340 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4247    2.1979   -0.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6076   -0.1620   -0.8491 C   0  0  1  0  0  0  0  0  0  0  0  0
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    3.7435   -0.1711    0.2056 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1840   -1.3631    0.7823 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6042   -1.2320    2.0927 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5734   -0.7525    3.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8821   -0.3729    2.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9389    0.4559    0.9269 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9256    1.4646    0.8659 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2435    0.8730    0.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7952    2.4733    1.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5179    1.0100    0.7017 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6949    1.9497   -0.3136 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8339   -1.4311   -1.1832 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3631   -1.2837   -2.6436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5885   -2.6982   -1.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1386   -3.6952   -0.0999 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0231   -3.1864    1.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1180   -4.3222   -0.5998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056   -4.4863   -1.8046 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1270   -6.2941    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.9974   -3.1189   -0.6314 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -0.6210    1.5377    2.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1630    5.4197   -2.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4456    2.1425   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3926    3.1988    0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1699    2.6180   -0.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6340   -0.4100    2.5864 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0362    0.0165    3.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7355    0.3051    3.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7332    0.9211   -0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8761    1.4879    1.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3072    2.0879    2.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7193    2.6551    2.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1332   -6.6830   -0.7171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3537   -4.8716   -1.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1187   -5.6953   -0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1790   -2.5531   -1.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9572   -3.6963   -1.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6562   -3.8389   -2.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3352   -2.1846   -2.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5097   -2.0233    0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3342   -4.0648    1.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9427   -2.7476    3.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3677   -1.2431    2.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0085   -2.2350    2.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6090   -3.7613    3.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2348   -0.3915    1.4232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3545    1.3795    2.9325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3594    1.4693    2.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8188    2.5298    1.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1180    4.3766   -0.9619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3621    5.7672   -3.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1293    4.3984   -3.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0104    5.7857   -2.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793    5.6450   -2.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2203    5.5156    0.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 22  1  0
 22 23  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 11 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 41  1  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
  6 46  1  0
 46 47  1  0
 47 48  1  0
 47 49  1  0
 49 50  1  0
 49  3  1  0
 44  8  1  0
 40 38  1  0
 22 13  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  4 54  1  0
  4 55  1  0
  4 56  1  0
  5 57  1  0
  5 58  1  0
  6 59  1  6
  8 60  1  6
  9 61  1  6
 10 62  1  0
 10 63  1  0
 10 64  1  0
 11 65  1  6
 13 66  1  6
 15 67  1  1
 16 68  1  0
 16 69  1  0
 16 70  1  0
 17 71  1  0
 17 72  1  0
 18 73  1  6
 22 80  1  1
 23 81  1  0
 20 74  1  0
 20 75  1  0
 20 76  1  0
 21 77  1  0
 21 78  1  0
 21 79  1  0
 24 82  1  1
 25 83  1  0
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 25 85  1  0
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 26 87  1  0
 27 88  1  1
 28 89  1  0
 28 90  1  0
 28 91  1  0
 31 92  1  1
 32 93  1  0
 32 94  1  0
 32 95  1  0
 33 96  1  6
 34 97  1  0
 35 98  1  6
 36 99  1  0
 36100  1  0
 36101  1  0
 37102  1  6
 44108  1  1
 45109  1  0
 45110  1  0
 45111  1  0
 38103  1  0
 39104  1  0
 39105  1  0
 40106  1  0
 40107  1  0
 47112  1  1
 48113  1  0
 48114  1  0
 48115  1  0
 49116  1  6
 50117  1  0
M  END


  Mrv1652309022210452D          

 50 53  0  0  1  0            999 V2000
   -2.7717    1.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9592    1.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8986    1.4570    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
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8205    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  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
   -0.7145    2.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0000    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  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
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   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
    2.8579    0.0000    0.0000 C   0  0  2  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
    3.5724   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2704   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4454   -3.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 C   0  0  2  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  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  6  0  0  0
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 18 22  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  6  0  0  0
 11 24  1  0  0  0  0
 24 25  1  1  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 37 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 38 40  1  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
  8 44  1  0  0  0  0
 44 45  1  6  0  0  0
  6 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 48  1  1  0  0  0
 47 49  1  0  0  0  0
  3 49  1  0  0  0  0
 49 50  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0152310

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@]1(C)C[C@H](O[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)[C@@H]2C)C2CC2)O[C@@H](C)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C38H67NO11/c1-18-15-19(2)32(50-37-31(42)27(39(10)11)16-20(3)46-37)23(6)33(48-28-17-38(9,45-12)35(43)25(8)47-28)24(7)36(44)49-34(26-13-14-26)22(5)30(41)21(4)29(18)40/h18-28,30-35,37,41-43H,13-17H2,1-12H3/t18-,19+,20-,21+,22-,23+,24-,25+,27+,28+,30-,31-,32+,33+,34+,35+,37+,38-/m1/s1

> <INCHI_KEY>
QZQXOYFOFWGSFM-FNMXLKPZSA-N

> <FORMULA>
C38H67NO11

> <MOLECULAR_WEIGHT>
713.95

> <EXACT_MASS>
713.471411981

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
117

> <JCHEM_AVERAGE_POLARIZABILITY>
78.80841109831717

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4S,5S,6S,7S,9R,11R,12S,13R,14R)-14-cyclopropyl-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

> <ALOGPS_LOGP>
3.03

> <JCHEM_LOGP>
4.545977108

> <ALOGPS_LOGS>
-4.25

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.24285816678022

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.624762952217992

> <JCHEM_PKA_STRONGEST_BASIC>
8.380988959079957

> <JCHEM_POLAR_SURFACE_AREA>
153.45

> <JCHEM_REFRACTIVITY>
185.85950000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.06e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,4S,5S,6S,7S,9R,11R,12S,13R,14R)-14-cyclopropyl-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      -5.174   2.452   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -3.657   2.720   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.677   2.720   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.000  -1.540   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.532   0.161   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.000   4.620   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -0.000   6.160   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -4.001   6.930   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       8.002  -0.000   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       6.105  -5.954   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.565  -5.954   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0      -2.667  -1.540   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      -5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -5.335   1.540   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   49                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   46                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   44                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   24                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   22                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   18   13   23                                                  
CONECT   23   22                                                            
CONECT   24   11   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   41                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38   40                                                       
CONECT   40   39   38                                                       
CONECT   41   37   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42    8   45                                                  
CONECT   45   44                                                            
CONECT   46    6   47                                                       
CONECT   47   46   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47    3   50                                                  
CONECT   50   49                                                            
MASTER        0    0    0    0    0    0    0    0   50    0  106    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₈H₆₇NO₁₁

Average Mass

713.9500 Da

Monoisotopic Mass

713.47141 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

CO[C@]1(C)C[C@H](O[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)[C@@H]2C)C2CC2)O[C@@H](C)[C@@H]1O

InChI Identifier

InChI=1S/C38H67NO11/c1-18-15-19(2)32(50-37-31(42)27(39(10)11)16-20(3)46-37)23(6)33(48-28-17-38(9,45-12)35(43)25(8)47-28)24(7)36(44)49-34(26-13-14-26)22(5)30(41)21(4)29(18)40/h18-28,30-35,37,41-43H,13-17H2,1-12H3/t18-,19+,20-,21+,22-,23+,24-,25+,27+,28+,30-,31-,32+,33+,34+,35+,37+,38-/m1/s1

InChI Key

QZQXOYFOFWGSFM-FNMXLKPZSA-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
Saccharopolyspora erythraea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminoglycosides

Alternative Parents

Substituents

Aminoglycoside core
Macrolide
Glycosyl compound
O-glycosyl compound
Monosaccharide
Oxane
1,2-aminoalcohol
Amino acid or derivatives
Carboxylic acid ester
Ketone
Lactone
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Cyclic ketone
Acetal
Organoheterocyclic compound
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Dialkyl ether
Ether
Organic nitrogen compound
Amine
Hydrocarbon derivative
Alcohol
Organonitrogen compound
Carbonyl group
Organopnictogen compound
Aldehyde
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	3.03	ALOGPS
logP	4.55	ChemAxon
logS	-4.2	ALOGPS
pKa (Strongest Acidic)	12.62	ChemAxon
pKa (Strongest Basic)	8.38	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	153.45 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	185.86 m³·mol⁻¹	ChemAxon
Polarizability	78.81 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

8732164

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10556775

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione (NP0152310)

MOL for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

3D MOL for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

3D SDF for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

3D-SDF for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

PDB for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

3D PDB for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

SMILES for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

INCHI for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

Structure for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)

3D Structure for NP0152310 ((3r,4s,5s,6s,7s,9r,11r,12s,13r,14r)-14-cyclopropyl-6-{[(2s,3r,4s,6r)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-12-hydroxy-4-{[(2r,4r,5s,6s)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione)