NP-MRD: Showing NP-Card for (1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid (NP0224584)

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Record Information

Version

2.0

Created at

2022-09-06 03:03:16 UTC

Updated at

2022-09-06 03:03:16 UTC

NP-MRD ID

NP0224584

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid

Description

(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,26R,27S)-23-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]Nonacosa-15,17,19,21-tetraene-26-carboxylic acid belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars. (1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid is found in Streptomyces diastaticus. Based on a literature review very few articles have been published on (1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,26R,27S)-23-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]Nonacosa-15,17,19,21-tetraene-26-carboxylic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062205032D          

 51 53  0  0  1  0            999 V2000
    8.1493    4.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8215    3.8266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3132    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1328    3.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9854    2.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1658    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6741    2.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380    1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0184    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8711    0.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5432   -0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7237   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959   -0.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763   -1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846   -0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -0.5266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9372   -1.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177   -1.3783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2102   -2.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0297   -2.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3575   -2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215   -1.5676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3410   -1.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936   -0.8105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6854   -0.1480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -0.7158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0463    0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733    0.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1011    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485    1.7446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5763    2.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0681    1.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959    2.5963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9041    3.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2154    2.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5432    3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3628    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906    4.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989    4.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    4.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0019    3.7319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2917    3.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568    2.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4455    2.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6094    1.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2102    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380    0.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019    2.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  6  0  0  0
 17 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 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
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
  2 43  1  0  0  0  0
 43 44  1  6  0  0  0
 32 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 46 48  1  0  0  0  0
 30 48  1  0  0  0  0
 48 49  1  6  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END

     RDKit          3D

106108  0  0  0  0  0  0  0  0999 V2000
    7.2929    0.8097   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7790    0.6089   -0.4633 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0610    1.8008    0.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    2.3929    1.0422 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8849    2.2734   -0.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5531    2.4529   -1.8003 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7886    2.5993   -2.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    3.6172   -2.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3515    4.3530   -0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    5.2057   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0498    4.9853   -0.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3011    2.7810    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3746    1.8263   -0.3016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0127    1.1622   -1.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2388    0.7760   -1.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1940    0.2419   -0.7952 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6498    1.3025   -0.0373 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0074    1.5254   -0.1019 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2903    2.7368   -0.7881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5916    2.5797   -1.2817 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9101    3.4906   -2.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5381    2.6591   -0.1293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.4641    1.6020   -0.1787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8170    2.5535    1.2100 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2652    3.8258    1.6109 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7444    1.4728    1.1898 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9734    1.6046    2.3163 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4667   -0.7265    0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4021   -1.6549    0.8634 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -1.1251   -3.2299    2.0691 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1093   -3.7236    3.4086 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3649   -2.9865    1.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417   -4.0264    2.4040 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5210   -5.0476    2.9783 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4626   -3.0978    0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4859   -0.6217    0.3836 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4186   -0.7619    1.4114 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496   -4.3282    1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0323   -3.8921   -0.1890 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0121   -3.6005   -1.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.2259   -3.2652    0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6456   -2.8095    1.6899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9237   -4.2727   -0.0593 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5811    1.0198    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5715    1.6709   -1.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7639   -0.1096   -0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5233    0.3799   -1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0692    1.4960   -2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0277    4.1226    0.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6831    6.2262   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5265    5.7276   -1.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7424    0.9560   -2.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995    0.8322   -2.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820   -0.3033   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4276    0.7448   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3049    0.4983    1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6538    2.5415    2.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5190   -3.2051    3.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6680   -3.5206   -0.9200 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3757   -4.9401   -0.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9015   -1.7176   -1.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6434   -1.8261   -0.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4630   -0.6093    0.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1700   -1.3428    1.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3685   -4.9118    1.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7344   -5.0991    1.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6600   -4.7449   -0.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244   -4.3148   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2139   -2.3028   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6396   -4.0517   -0.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  1
 32 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 49 51  1  0
 49 50  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 44  1  0
 43  2  1  0
  2  1  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 19 27  1  0
 27 28  1  0
 27 25  1  0
 25 26  1  0
 25 23  1  0
 23 24  1  0
 23 21  1  0
 16 17  1  0
 48 30  1  0
 22 73  1  0
 22 74  1  0
 22 75  1  0
 21 72  1  6
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 17 70  1  6
 29 83  1  0
 29 84  1  0
 30 85  1  1
 33 86  1  0
 45101  1  0
 45102  1  0
 46103  1  6
 47104  1  0
 48105  1  6
 51106  1  0
 34 87  1  0
 34 88  1  0
 35 89  1  1
 36 90  1  0
 37 91  1  0
 37 92  1  0
 38 93  1  0
 38 94  1  0
 39 95  1  0
 39 96  1  0
 42 97  1  0
 42 98  1  0
 43 99  1  1
 44100  1  0
  2 55  1  6
  1 52  1  0
  1 53  1  0
  1 54  1  0
  6 56  1  6
  7 57  1  0
  7 58  1  0
  7 59  1  0
  8 60  1  0
  8 61  1  0
  9 62  1  0
 10 63  1  0
 11 64  1  0
 12 65  1  0
 13 66  1  0
 14 67  1  0
 15 68  1  0
 16 69  1  0
 27 81  1  1
 28 82  1  0
 25 78  1  1
 26 79  1  0
 26 80  1  0
 23 76  1  1
 24 77  1  0
M  END


  Mrv1652309062205032D          

 51 53  0  0  1  0            999 V2000
    8.1493    4.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8215    3.8266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3132    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1328    3.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9854    2.4071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1658    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6741    2.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380    1.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0184    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906    0.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8711    0.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5432   -0.1480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7237   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959   -0.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5763   -1.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846   -0.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2650   -0.5266    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9372   -1.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1177   -1.3783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2102   -2.1354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0297   -2.2300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3575   -2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5215   -1.5676    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3410   -1.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936   -0.8105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6854   -0.1480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741   -0.7158    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0463    0.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7733    0.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1011    0.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9207    0.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2485    1.7446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5763    2.5017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0681    1.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3959    2.5963    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9041    3.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2154    2.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5432    3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3628    3.5427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6906    4.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1989    4.9622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    4.3944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0019    3.7319    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2917    3.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7568    2.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372    2.3124    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4455    2.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6094    1.5554    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2102    1.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5380    0.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7019    2.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  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
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 19 27  1  0  0  0  0
 27 28  1  6  0  0  0
 17 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 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
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
  2 43  1  0  0  0  0
 43 44  1  6  0  0  0
 32 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  1  0  0  0
 46 48  1  0  0  0  0
 30 48  1  0  0  0  0
 48 49  1  6  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0224584

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1O[C@@H](O[C@@H]2CC3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)CCCC(=O)C[C@@H](O)[C@H](C)C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H55NO14/c1-20-12-9-7-5-4-6-8-10-15-25(50-35-32(43)30(37)31(42)22(3)49-35)17-28-29(33(44)45)27(41)19-36(47,51-28)18-24(39)14-11-13-23(38)16-26(40)21(2)34(46)48-20/h4-10,15,20-22,24-32,35,39-43,47H,11-14,16-19,37H2,1-3H3,(H,44,45)/b5-4+,8-6+,9-7+,15-10+/t20-,21+,22-,24+,25+,26-,27+,28?,29-,30+,31-,32+,35+,36-/m1/s1

> <INCHI_KEY>
VUMUKZLFZUJZPM-JWZGVFNSSA-N

> <FORMULA>
C36H55NO14

> <MOLECULAR_WEIGHT>
725.829

> <EXACT_MASS>
725.362255455

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
75.73576301858722

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,26R,27S)-23-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid

> <JCHEM_LOGP>
-1.5315172281380673

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.829834043725173

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6678240363024064

> <JCHEM_PKA_STRONGEST_BASIC>
9.113106405780101

> <JCHEM_POLAR_SURFACE_AREA>
255.75999999999996

> <JCHEM_REFRACTIVITY>
185.2454000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,26R,27S)-23-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      15.212   8.556   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.600   7.143   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.518   5.906   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      17.048   6.083   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      14.906   4.493   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      13.376   4.317   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.458   5.553   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.764   2.903   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      11.234   2.727   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.622   1.313   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.093   1.137   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.481  -0.276   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.951  -0.453   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.339  -1.866   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.809  -2.043   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.891  -0.806   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.361  -0.983   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       1.749  -2.396   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.220  -2.573   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -0.392  -3.986   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -1.922  -4.163   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.534  -5.576   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.840  -2.926   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.370  -3.103   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -2.228  -1.513   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -3.146  -0.276   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      -0.698  -1.336   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.086   0.077   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       1.443   0.254   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.055   1.667   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       3.585   1.843   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       4.197   3.257   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       4.809   4.670   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       5.727   3.433   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.339   4.847   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.421   6.083   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       7.869   5.023   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       8.481   6.436   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      10.011   6.613   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.622   8.026   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       9.705   9.263   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0      12.152   8.203   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.070   6.966   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      11.745   6.183   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0       3.279   4.493   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       1.749   4.317   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       0.832   5.553   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       1.138   2.903   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      -0.392   2.727   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      -1.004   1.313   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      -1.310   3.963   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   43                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   29                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   27                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   19   28                                                  
CONECT   28   27                                                            
CONECT   29   17   30                                                       
CONECT   30   29   31   48                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33   34   45                                             
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42    2   44                                                  
CONECT   44   43                                                            
CONECT   45   32   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   30   49                                                  
CONECT   49   48   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  106    0
END

View in JSmol

Synonyms

Value	Source
(1R,3S,9R,10S,13R,15E,17E,19E,21E,23R,26R,27S)-23-{[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylate	Generator

Chemical Formula

C₃₆H₅₅NO₁₄

Average Mass

725.8290 Da

Monoisotopic Mass

725.36226 Da

IUPAC Name

Traditional Name

CAS Registry Number

Not Available

SMILES

C[C@H]1O[C@@H](O[C@@H]2CC3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)CCCC(=O)C[C@@H](O)[C@H](C)C(=O)O[C@H](C)C\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O

InChI Identifier

InChI=1S/C36H55NO14/c1-20-12-9-7-5-4-6-8-10-15-25(50-35-32(43)30(37)31(42)22(3)49-35)17-28-29(33(44)45)27(41)19-36(47,51-28)18-24(39)14-11-13-23(38)16-26(40)21(2)34(46)48-20/h4-10,15,20-22,24-32,35,39-43,47H,11-14,16-19,37H2,1-3H3,(H,44,45)/b5-4+,8-6+,9-7+,15-10+/t20-,21+,22-,24+,25+,26-,27+,28?,29-,30+,31-,32+,35+,36-/m1/s1

InChI Key

VUMUKZLFZUJZPM-JWZGVFNSSA-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
Streptomyces diastaticus	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
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Beta-hydroxy acid
Oxane
Monosaccharide
Hydroxy acid
Dicarboxylic acid or derivatives
Amino acid
Cyclic ketone
Secondary alcohol
Lactone
Ketone
Hemiacetal
Carboxylic acid ester
Amino acid or derivatives
1,2-aminoalcohol
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic 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	-1.5	ChemAxon
pKa (Strongest Acidic)	3.67	ChemAxon
pKa (Strongest Basic)	9.11	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	255.76 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	185.25 m³·mol⁻¹	ChemAxon
Polarizability	75.74 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	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

163186859

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid (NP0224584)

MOL for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

3D MOL for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

3D SDF for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

3D-SDF for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

PDB for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

3D PDB for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

SMILES for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

INCHI for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

Structure for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)

3D Structure for NP0224584 ((1r,3s,9r,10s,13r,15e,17e,19e,21e,23r,26r,27s)-23-{[(2r,3s,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-1,3,9,27-tetrahydroxy-10,13-dimethyl-7,11-dioxo-12,29-dioxabicyclo[23.3.1]nonacosa-15,17,19,21-tetraene-26-carboxylic acid)