NP-MRD: Showing NP-Card for methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate (NP0174045)

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Record Information

Version

2.0

Created at

2022-09-03 11:15:11 UTC

Updated at

2022-09-03 11:15:11 UTC

NP-MRD ID

NP0174045

Secondary Accession Numbers

None

Natural Product Identification

Common Name

methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate

Description

Sulfurmycin C, also known as sulphurmycin C, belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage. methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate is found in Streptomyces galilaeus. Based on a literature review very few articles have been published on Sulfurmycin C.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309032213152D          

 52 57  0  0  1  0            999 V2000
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    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
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5403    0.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9774    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4146    2.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3648    0.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  0  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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 23 31  1  0  0  0  0
 21 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 15 34  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
  9 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 44 50  1  0  0  0  0
 50 51  1  0  0  0  0
  8 51  1  0  0  0  0
 51 52  2  0  0  0  0
M  END

     RDKit          3D

 97102  0  0  0  0  0  0  0  0999 V2000
   -5.0472   -4.4877    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0430   -3.1274    0.5303 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0350   -2.6680    1.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2009   -3.5043    1.7531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340   -1.2504    1.7775 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0134   -0.4140    0.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1141   -0.0917   -0.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0344    0.6792   -1.3670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7911    1.1316   -1.7423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6620    0.8133   -0.9775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4338    1.2382   -1.3136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7635    0.0355    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208   -0.3391    1.0298 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4429    0.3023    0.7890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6314   -0.5126    0.5611 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3096   -0.3198   -0.7699 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7858   -0.7016   -0.5952 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9755   -2.0136   -0.1741 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5224   -3.0391   -1.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025   -2.3948    0.6971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4239    0.3862    0.2822 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.6781    0.0302    0.6771 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6989    0.8417    0.1632 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4176    1.6277    1.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5963    2.3279    0.6133 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6626    3.6405    1.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5041    2.2873   -0.8772 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5727    3.1466   -1.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4089    0.8681   -1.3571 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9263    0.8527   -2.7938 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1097    1.0115    2.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5549   -0.3800    1.6128 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0544    0.0292    2.4483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2764   -0.7633    2.8621 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -2.8430   -1.8455    3.8564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0031   -2.4672    4.4912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8390   -3.5657    5.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1199   -2.0867    4.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7220    1.9391   -2.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6206    2.3606   -3.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9070    2.2724   -3.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7753    3.0529   -4.8957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6092    3.5471   -5.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9632    3.3235   -5.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1815    2.8596   -5.2019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2992    2.0901   -4.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1571    1.8089   -3.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2295    0.9924   -2.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3664    0.5719   -1.7868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0584   -4.9630    0.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8516   -5.0183    0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2186   -1.1081    2.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2832   -1.5646    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2458   -0.5548   -1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0124   -1.8993    1.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4870    1.3267   -0.3713 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1579    1.5886   -0.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8032    0.9510    2.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5571    1.8566    0.9728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8567    4.1107    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5093    2.6632   -1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.1006    3.0643   -5.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2450    1.6987   -3.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 35  1  0
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
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 27 29  1  0
 29 30  1  0
 29 31  1  0
 21 32  1  0
 32 33  1  0
 32 34  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
  9 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  2  0
 45 46  1  0
 45 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 51  1  0
 51 52  2  0
 36  5  1  0
 34 15  1  0
 50 44  1  0
 12  6  1  0
 31 23  1  0
 51  8  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  5 56  1  1
  7 57  1  0
 11 58  1  0
 13 59  1  1
 35 86  1  0
 35 87  1  0
 37 88  1  0
 38 89  1  0
 38 90  1  0
 40 91  1  0
 40 92  1  0
 40 93  1  0
 15 60  1  6
 16 61  1  0
 16 62  1  0
 17 63  1  6
 21 70  1  6
 23 71  1  6
 24 72  1  0
 24 73  1  0
 25 74  1  6
 26 75  1  0
 27 76  1  6
 28 77  1  0
 29 78  1  6
 30 79  1  0
 30 80  1  0
 30 81  1  0
 32 82  1  6
 33 83  1  0
 33 84  1  0
 33 85  1  0
 19 64  1  0
 19 65  1  0
 19 66  1  0
 20 67  1  0
 20 68  1  0
 20 69  1  0
 46 94  1  0
 47 95  1  0
 48 96  1  0
 49 97  1  0
M  END


  Mrv1652309032213152D          

 52 57  0  0  1  0            999 V2000
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    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
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5403    0.8538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1530    1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9774    1.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4146    2.1955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3648    0.7674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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  0  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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  6  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  6  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 23 31  1  0  0  0  0
 21 32  1  0  0  0  0
 32 33  1  6  0  0  0
 32 34  1  0  0  0  0
 15 34  1  0  0  0  0
 13 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 36  1  0  0  0  0
 36 37  1  6  0  0  0
 36 38  1  1  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
  9 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  2  0  0  0  0
 44 50  1  0  0  0  0
 50 51  1  0  0  0  0
  8 51  1  0  0  0  0
 51 52  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0174045

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C@@H]1C2=CC3=C(C(O)=C2[C@H](C[C@]1(O)CC(C)=O)O[C@H]1C[C@@H]([C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1)N(C)C)C(=O)C1=C(O)C=CC=C1C3=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H45NO14/c1-15(39)13-37(47)14-24(51-25-11-21(38(4)5)35(17(3)50-25)52-26-12-23(41)31(42)16(2)49-26)28-19(30(37)36(46)48-6)10-20-29(34(28)45)33(44)27-18(32(20)43)8-7-9-22(27)40/h7-10,16-17,21,23-26,30-31,35,40-42,45,47H,11-14H2,1-6H3/t16-,17-,21-,23-,24-,25-,26-,30-,31+,35+,37+/m0/s1

> <INCHI_KEY>
PSUQQLCSYKMETC-JUMBGEQRSA-N

> <FORMULA>
C37H45NO14

> <MOLECULAR_WEIGHT>
727.76

> <EXACT_MASS>
727.284005133

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
97

> <JCHEM_AVERAGE_POLARIZABILITY>
75.32218364891713

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (1R,2S,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

> <ALOGPS_LOGP>
2.20

> <JCHEM_LOGP>
2.1187685340173794

> <ALOGPS_LOGS>
-3.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
8.420967981694549

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.809534799207653

> <JCHEM_PKA_STRONGEST_BASIC>
7.278949718798327

> <JCHEM_POLAR_SURFACE_AREA>
218.82

> <JCHEM_REFRACTIVITY>
181.2607

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.55e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1R,2S,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      10.669   4.620   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       9.336  -2.310   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      14.670  -2.310   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      14.670  -5.390   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      17.338 -10.010   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      14.670 -10.010   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      14.670 -11.550   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      13.337  -7.700   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.208   1.594   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      11.486   2.846   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.025   2.792   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      13.841   4.098   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      13.748   1.433   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   36                                                  
CONECT    6    5    7   12                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   51                                                  
CONECT    9    8   10   42                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10    6   13                                                  
CONECT   13   12   14   35                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   34                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17   22   32                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   31                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   23                                                       
CONECT   32   21   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   15                                                       
CONECT   35   13   36                                                       
CONECT   36   35    5   37   38                                             
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42    9   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   50                                                  
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   44   51                                                  
CONECT   51   50    8   52                                                  
CONECT   52   51                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  114    0
END

View in JSmol

Synonyms

Value	Source
Sulphurmycin C	Generator

Chemical Formula

C₃₇H₄₅NO₁₄

Average Mass

727.7600 Da

Monoisotopic Mass

727.28401 Da

IUPAC Name

methyl (1R,2S,4S)-4-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)[C@@H]1C2=CC3=C(C(O)=C2[C@H](C[C@]1(O)CC(C)=O)O[C@H]1C[C@@H]([C@H](O[C@H]2C[C@H](O)[C@H](O)[C@H](C)O2)[C@H](C)O1)N(C)C)C(=O)C1=C(O)C=CC=C1C3=O

InChI Identifier

InChI=1S/C37H45NO14/c1-15(39)13-37(47)14-24(51-25-11-21(38(4)5)35(17(3)50-25)52-26-12-23(41)31(42)16(2)49-26)28-19(30(37)36(46)48-6)10-20-29(34(28)45)33(44)27-18(32(20)43)8-7-9-22(27)40/h7-10,16-17,21,23-26,30-31,35,40-42,45,47H,11-14H2,1-6H3/t16-,17-,21-,23-,24-,25-,26-,30-,31+,35+,37+/m0/s1

InChI Key

PSUQQLCSYKMETC-JUMBGEQRSA-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 galilaeus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as anthracyclines. These are polyketides containing a tetracenequinone ring structure with a sugar attached by glycosidic linkage.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Anthracyclines

Sub Class

Not Available

Direct Parent

Anthracyclines

Alternative Parents

Substituents

Anthracyclinone-skeleton
Anthracycline
Aminoglycoside core
Tetracenequinone
Anthracene carboxylic acid
Anthracene carboxylic acid or derivatives
1,4-anthraquinone
9,10-anthraquinone
Anthracene
1-naphthalenecarboxylic acid or derivatives
O-glycosyl compound
Disaccharide
Glycosyl compound
Tetralin
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
Amino saccharide
1-hydroxy-2-unsubstituted benzenoid
Beta-hydroxy ketone
Benzenoid
Oxane
Tertiary alcohol
Methyl ester
Vinylogous acid
Secondary alcohol
Tertiary amine
Tertiary aliphatic amine
Ketone
Amino acid or derivatives
Carboxylic acid ester
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Acetal
Organoheterocyclic compound
Aldehyde
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Alcohol
Amine
Organonitrogen compound
Organooxygen compound
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	2.2	ALOGPS
logP	2.12	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	7.81	ChemAxon
pKa (Strongest Basic)	7.28	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	218.82 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	181.26 m³·mol⁻¹	ChemAxon
Polarizability	75.32 Å³	ChemAxon
Number of Rings	6	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

C00018458

Chemspider ID

152073

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

174336

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate (NP0174045)

MOL for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

3D MOL for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

3D SDF for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

3D-SDF for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

PDB for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

3D PDB for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

SMILES for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

INCHI for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

Structure for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)

3D Structure for NP0174045 (methyl (1r,2s,4s)-4-{[(2r,4s,5s,6s)-5-{[(2s,4s,5s,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1h-tetracene-1-carboxylate)