NP-MRD: Showing NP-Card for Saptomycin E (NP0022815)

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Record Information

Version

2.0

Created at

2021-01-06 07:58:45 UTC

Updated at

2021-07-15 17:40:04 UTC

NP-MRD ID

NP0022815

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Saptomycin E

Provided By

NPAtlas

Description

Saptomycin E is found in Streptomyces. Based on a literature review very few articles have been published on Saptomycin E.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042108113D          

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M  END

     RDKit          3D

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   -5.0716    2.9160   -1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5502    2.3829   -0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  0
 32 33  1  0
 28 34  1  0
 34 35  1  0
 20 36  1  0
 36 37  2  0
  9 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  6
 41 42  1  0
 41 43  1  0
 39  5  1  0
 15 10  1  0
 35 19  1  0
 36 13  1  0
 35 24  2  0
 32 29  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  5 47  1  1
  6 48  1  6
  7 49  1  0
  7 50  1  0
  7 51  1  0
  9 52  1  6
 11 53  1  0
 12 54  1  0
 16 55  1  0
 21 56  1  0
 23 57  1  0
 23 58  1  0
 23 59  1  0
 27 60  1  0
 30 61  1  0
 30 62  1  0
 30 63  1  0
 32 64  1  6
 33 65  1  0
 33 66  1  0
 33 67  1  0
 38 68  1  0
 38 69  1  0
 40 70  1  0
 40 71  1  0
 40 72  1  0
 42 73  1  0
 42 74  1  0
 42 75  1  0
 43 76  1  0
 43 77  1  0
 43 78  1  0
M  END


  Mrv1652307042108113D          

 78 83  0  0  0  0            999 V2000
   -9.0331    0.3381    1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5456    0.2134    1.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9954    0.4416    2.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7091   -0.1489    0.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3245   -0.2549    0.6194 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7502   -1.6261    0.3900 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8002   -2.4023    1.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6667   -1.8068   -0.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -0.8411   -0.4620 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3628   -1.3644    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578   -2.4186    0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -2.9791    1.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152   -2.4304    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -1.3474   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760   -0.7982   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    0.2554   -1.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -0.7871   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    0.2123   -1.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -1.3480   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492   -2.4300    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582   -2.9029    1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528   -2.2872    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340   -2.7980    1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9776   -1.1907   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1154   -0.5321   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2373   -0.9498   -0.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    0.5504   -1.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152    1.0031   -1.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7036    2.2100   -2.5987 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3155    2.0111   -3.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485    3.2019   -2.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0899    3.4628   -1.9021 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0299    3.6014   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6748    0.3561   -1.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7654   -0.7054   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3965   -3.0041    1.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -3.9893    1.9732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0710    0.3771    0.3503 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4936    0.7092   -0.1635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6449    0.4155   -1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6803    2.0865    0.0415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3800    2.6372    1.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5349    2.8121   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3577    1.3897    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4525   -0.0585    2.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4135   -0.2756    0.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1199   -0.0121    1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6114   -2.1670   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887   -2.1404    2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9767   -3.4495    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7434   -2.0606    2.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699   -0.5519   -1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1393   -2.9255    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -3.8228    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519    0.8418   -1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690   -3.7433    1.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9999   -3.1666    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476   -3.7332    1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8541   -2.1206    2.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8487    1.0948   -1.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7214    1.2810   -4.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3323    2.9938   -4.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3597    1.6192   -3.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6621    4.2053   -2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844    4.3207   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2279    2.6372    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158    3.9920   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    1.2617    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328    0.1313    1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8712   -0.6372   -1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320    0.8479   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5671    0.9659   -2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142    1.9341    2.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138    3.2104    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1400    3.4099    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5898    3.8765   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0716    2.9160   -1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5502    2.3829   -0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 34  1  0  0  0  0
 34 35  1  0  0  0  0
 20 36  1  0  0  0  0
 36 37  2  0  0  0  0
  9 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  6  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
 39  5  1  0  0  0  0
 15 10  1  0  0  0  0
 35 19  1  0  0  0  0
 36 13  1  0  0  0  0
 35 24  2  0  0  0  0
 32 29  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  5 47  1  1  0  0  0
  6 48  1  6  0  0  0
  7 49  1  0  0  0  0
  7 50  1  0  0  0  0
  7 51  1  0  0  0  0
  9 52  1  6  0  0  0
 11 53  1  0  0  0  0
 12 54  1  0  0  0  0
 16 55  1  0  0  0  0
 21 56  1  0  0  0  0
 23 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 27 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 32 64  1  6  0  0  0
 33 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 38 68  1  0  0  0  0
 38 69  1  0  0  0  0
 40 70  1  0  0  0  0
 40 71  1  0  0  0  0
 40 72  1  0  0  0  0
 42 73  1  0  0  0  0
 42 74  1  0  0  0  0
 42 75  1  0  0  0  0
 43 76  1  0  0  0  0
 43 77  1  0  0  0  0
 43 78  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0022815

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C2C(=O)C3=C(C([H])=C(C4=C3OC(=C([H])C4=O)[C@]3(O[C@@]3([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C(=O)C2=C([H])C([H])=C1[C@@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])[C@](N(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C33H35NO9/c1-14-11-20-26(30-24(14)21(36)12-23(42-30)33(6)16(3)43-33)29(39)25-19(27(20)37)10-9-18(28(25)38)22-13-32(5,34(7)8)31(15(2)40-22)41-17(4)35/h9-12,15-16,22,31,38H,13H2,1-8H3/t15-,16-,22-,31-,32-,33-/m0/s1

> <INCHI_KEY>
DLWNUUQBCVPEHS-UHFFFAOYSA-N

> <FORMULA>
C33H35NO9

> <MOLECULAR_WEIGHT>
589.641

> <EXACT_MASS>
589.231181711

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
78

> <JCHEM_AVERAGE_POLARIZABILITY>
63.68538235635505

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,6S)-4-(dimethylamino)-6-{2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-10-yl}-2,4-dimethyloxan-3-yl acetate

> <ALOGPS_LOGP>
3.92

> <JCHEM_LOGP>
3.5612242948198793

> <ALOGPS_LOGS>
-4.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.966186142348938

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.038022755995414

> <JCHEM_PKA_STRONGEST_BASIC>
7.749496259229296

> <JCHEM_POLAR_SURFACE_AREA>
131.97000000000003

> <JCHEM_REFRACTIVITY>
158.26939999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.29e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,6S)-4-(dimethylamino)-6-{2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-1-oxatetraphen-10-yl}-2,4-dimethyloxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 78 83  0  0  0  0  0  0  0  0999 V2000
   -9.0331    0.3381    1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5456    0.2134    1.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9954    0.4416    2.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7091   -0.1489    0.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3245   -0.2549    0.6194 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7502   -1.6261    0.3900 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8002   -2.4023    1.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6667   -1.8068   -0.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -0.8411   -0.4620 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3628   -1.3644    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578   -2.4186    0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -2.9791    1.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152   -2.4304    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -1.3474   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760   -0.7982   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    0.2554   -1.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -0.7871   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    0.2123   -1.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -1.3480   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492   -2.4300    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582   -2.9029    1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528   -2.2872    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340   -2.7980    1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9776   -1.1907   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1154   -0.5321   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2373   -0.9498   -0.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9750    0.5504   -1.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7152    1.0031   -1.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7036    2.2100   -2.5987 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3155    2.0111   -3.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485    3.2019   -2.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0899    3.4628   -1.9021 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0299    3.6014   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6748    0.3561   -1.2845 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3965   -3.0041    1.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -3.9893    1.9732 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0710    0.3771    0.3503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4936    0.7092   -0.1635 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6449    0.4155   -1.6432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6803    2.0865    0.0415 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5349    2.8121   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.4525   -0.0585    2.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1199   -0.0121    1.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6114   -2.1670   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9887   -2.1404    2.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9767   -3.4495    1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7434   -2.0606    2.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699   -0.5519   -1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1393   -2.9255    1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0085   -3.8228    1.8912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3519    0.8418   -1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8690   -3.7433    1.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9999   -3.1666    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476   -3.7332    1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7214    1.2810   -4.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3323    2.9938   -4.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3597    1.6192   -3.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6621    4.2053   -2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844    4.3207   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2279    2.6372    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158    3.9920   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    1.2617    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328    0.1313    1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8712   -0.6372   -1.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8320    0.8479   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5671    0.9659   -2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3142    1.9341    2.1697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4138    3.2104    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1400    3.4099    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5898    3.8765   -0.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0716    2.9160   -1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5502    2.3829   -0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
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 15 16  1  0
 14 17  1  0
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 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  0
 32 33  1  0
 28 34  1  0
 34 35  1  0
 20 36  1  0
 36 37  2  0
  9 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  6
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 41 43  1  0
 39  5  1  0
 15 10  1  0
 35 19  1  0
 36 13  1  0
 35 24  2  0
 32 29  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  5 47  1  1
  6 48  1  6
  7 49  1  0
  7 50  1  0
  7 51  1  0
  9 52  1  6
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 12 54  1  0
 16 55  1  0
 21 56  1  0
 23 57  1  0
 23 58  1  0
 23 59  1  0
 27 60  1  0
 30 61  1  0
 30 62  1  0
 30 63  1  0
 32 64  1  6
 33 65  1  0
 33 66  1  0
 33 67  1  0
 38 68  1  0
 38 69  1  0
 40 70  1  0
 40 71  1  0
 40 72  1  0
 42 73  1  0
 42 74  1  0
 42 75  1  0
 43 76  1  0
 43 77  1  0
 43 78  1  0
M  END

HEADER    PROTEIN                                 04-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUL-21         0                                  
HETATM    1  C   UNK     0      -9.033   0.338   1.391  0.00  0.00           C+0
HETATM    2  C   UNK     0      -7.546   0.213   1.513  0.00  0.00           C+0
HETATM    3  O   UNK     0      -6.995   0.442   2.621  0.00  0.00           O+0
HETATM    4  O   UNK     0      -6.709  -0.149   0.450  0.00  0.00           O+0
HETATM    5  C   UNK     0      -5.324  -0.255   0.619  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.750  -1.626   0.390  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.800  -2.402   1.732  0.00  0.00           C+0
HETATM    8  O   UNK     0      -3.667  -1.807  -0.361  0.00  0.00           O+0
HETATM    9  C   UNK     0      -2.656  -0.841  -0.462  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.363  -1.364   0.013  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.258  -2.419   0.841  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.045  -2.979   1.226  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.115  -2.430   0.740  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.056  -1.347  -0.112  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.176  -0.798  -0.492  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.214   0.255  -1.327  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.338  -0.787  -0.522  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.354   0.212  -1.307  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.607  -1.348  -0.055  0.00  0.00           C+0
HETATM   20  C   UNK     0       3.649  -2.430   0.788  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.858  -2.903   1.223  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.053  -2.287   0.816  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.334  -2.798   1.294  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.978  -1.191  -0.032  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.115  -0.532  -0.454  0.00  0.00           C+0
HETATM   26  O   UNK     0       8.237  -0.950  -0.066  0.00  0.00           O+0
HETATM   27  C   UNK     0       6.975   0.550  -1.278  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.715   1.003  -1.701  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.704   2.210  -2.599  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.316   2.011  -3.944  0.00  0.00           C+0
HETATM   31  O   UNK     0       4.749   3.202  -2.417  0.00  0.00           O+0
HETATM   32  C   UNK     0       6.090   3.463  -1.902  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.030   3.601  -0.405  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.675   0.356  -1.285  0.00  0.00           O+0
HETATM   35  C   UNK     0       4.765  -0.705  -0.477  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.397  -3.004   1.210  0.00  0.00           C+0
HETATM   37  O   UNK     0       2.377  -3.989   1.973  0.00  0.00           O+0
HETATM   38  C   UNK     0      -3.071   0.377   0.350  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.494   0.709  -0.164  0.00  0.00           C+0
HETATM   40  C   UNK     0      -4.645   0.416  -1.643  0.00  0.00           C+0
HETATM   41  N   UNK     0      -4.680   2.087   0.042  0.00  0.00           N+0
HETATM   42  C   UNK     0      -4.380   2.637   1.321  0.00  0.00           C+0
HETATM   43  C   UNK     0      -5.535   2.812  -0.807  0.00  0.00           C+0
HETATM   44  H   UNK     0      -9.358   1.390   1.297  0.00  0.00           H+0
HETATM   45  H   UNK     0      -9.453  -0.059   2.349  0.00  0.00           H+0
HETATM   46  H   UNK     0      -9.414  -0.276   0.531  0.00  0.00           H+0
HETATM   47  H   UNK     0      -5.120  -0.012   1.713  0.00  0.00           H+0
HETATM   48  H   UNK     0      -5.611  -2.167  -0.179  0.00  0.00           H+0
HETATM   49  H   UNK     0      -3.989  -2.140   2.392  0.00  0.00           H+0
HETATM   50  H   UNK     0      -4.977  -3.450   1.533  0.00  0.00           H+0
HETATM   51  H   UNK     0      -5.743  -2.061   2.281  0.00  0.00           H+0
HETATM   52  H   UNK     0      -2.570  -0.552  -1.504  0.00  0.00           H+0
HETATM   53  H   UNK     0      -2.139  -2.926   1.256  0.00  0.00           H+0
HETATM   54  H   UNK     0      -0.009  -3.823   1.891  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.352   0.842  -1.814  0.00  0.00           H+0
HETATM   56  H   UNK     0       4.869  -3.743   1.871  0.00  0.00           H+0
HETATM   57  H   UNK     0       8.000  -3.167   0.485  0.00  0.00           H+0
HETATM   58  H   UNK     0       7.148  -3.733   1.909  0.00  0.00           H+0
HETATM   59  H   UNK     0       7.854  -2.121   2.026  0.00  0.00           H+0
HETATM   60  H   UNK     0       7.849   1.095  -1.627  0.00  0.00           H+0
HETATM   61  H   UNK     0       5.721   1.281  -4.506  0.00  0.00           H+0
HETATM   62  H   UNK     0       6.332   2.994  -4.488  0.00  0.00           H+0
HETATM   63  H   UNK     0       7.360   1.619  -3.864  0.00  0.00           H+0
HETATM   64  H   UNK     0       6.662   4.205  -2.440  0.00  0.00           H+0
HETATM   65  H   UNK     0       6.784   4.321  -0.045  0.00  0.00           H+0
HETATM   66  H   UNK     0       6.228   2.637   0.110  0.00  0.00           H+0
HETATM   67  H   UNK     0       5.016   3.992  -0.101  0.00  0.00           H+0
HETATM   68  H   UNK     0      -2.457   1.262   0.066  0.00  0.00           H+0
HETATM   69  H   UNK     0      -3.133   0.131   1.389  0.00  0.00           H+0
HETATM   70  H   UNK     0      -4.871  -0.637  -1.873  0.00  0.00           H+0
HETATM   71  H   UNK     0      -3.832   0.848  -2.270  0.00  0.00           H+0
HETATM   72  H   UNK     0      -5.567   0.966  -2.022  0.00  0.00           H+0
HETATM   73  H   UNK     0      -4.314   1.934   2.170  0.00  0.00           H+0
HETATM   74  H   UNK     0      -3.414   3.210   1.191  0.00  0.00           H+0
HETATM   75  H   UNK     0      -5.140   3.410   1.573  0.00  0.00           H+0
HETATM   76  H   UNK     0      -5.590   3.877  -0.412  0.00  0.00           H+0
HETATM   77  H   UNK     0      -5.072   2.916  -1.813  0.00  0.00           H+0
HETATM   78  H   UNK     0      -6.550   2.383  -0.961  0.00  0.00           H+0
CONECT    1    2   44   45   46                                             
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   39   47                                             
CONECT    6    5    7    8   48                                             
CONECT    7    6   49   50   51                                             
CONECT    8    6    9                                                       
CONECT    9    8   10   38   52                                             
CONECT   10    9   11   15                                                  
CONECT   11   10   12   53                                                  
CONECT   12   11   13   54                                                  
CONECT   13   12   14   36                                                  
CONECT   14   13   15   17                                                  
CONECT   15   14   16   10                                                  
CONECT   16   15   55                                                       
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   35                                                  
CONECT   20   19   21   36                                                  
CONECT   21   20   22   56                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   57   58   59                                             
CONECT   24   22   25   35                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   60                                                  
CONECT   28   27   29   34                                                  
CONECT   29   28   30   31   32                                             
CONECT   30   29   61   62   63                                             
CONECT   31   29   32                                                       
CONECT   32   31   33   29   64                                             
CONECT   33   32   65   66   67                                             
CONECT   34   28   35                                                       
CONECT   35   34   19   24                                                  
CONECT   36   20   37   13                                                  
CONECT   37   36                                                            
CONECT   38    9   39   68   69                                             
CONECT   39   38   40   41    5                                             
CONECT   40   39   70   71   72                                             
CONECT   41   39   42   43                                                  
CONECT   42   41   73   74   75                                             
CONECT   43   41   76   77   78                                             
CONECT   44    1                                                            
CONECT   45    1                                                            
CONECT   46    1                                                            
CONECT   47    5                                                            
CONECT   48    6                                                            
CONECT   49    7                                                            
CONECT   50    7                                                            
CONECT   51    7                                                            
CONECT   52    9                                                            
CONECT   53   11                                                            
CONECT   54   12                                                            
CONECT   55   16                                                            
CONECT   56   21                                                            
CONECT   57   23                                                            
CONECT   58   23                                                            
CONECT   59   23                                                            
CONECT   60   27                                                            
CONECT   61   30                                                            
CONECT   62   30                                                            
CONECT   63   30                                                            
CONECT   64   32                                                            
CONECT   65   33                                                            
CONECT   66   33                                                            
CONECT   67   33                                                            
CONECT   68   38                                                            
CONECT   69   38                                                            
CONECT   70   40                                                            
CONECT   71   40                                                            
CONECT   72   40                                                            
CONECT   73   42                                                            
CONECT   74   42                                                            
CONECT   75   42                                                            
CONECT   76   43                                                            
CONECT   77   43                                                            
CONECT   78   43                                                            
MASTER        0    0    0    0    0    0    0    0   78    0  166    0
END

RDKit          3D

78 83  0  0  0  0  0  0  0  0999 V2000
   -9.0331    0.3381    1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5456    0.2134    1.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9954    0.4416    2.6210 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7091   -0.1489    0.4499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3245   -0.2549    0.6194 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.7502   -1.6261    0.3900 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8002   -2.4023    1.7317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6667   -1.8068   -0.3612 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562   -0.8411   -0.4620 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3628   -1.3644    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578   -2.4186    0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448   -2.9791    1.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1152   -2.4304    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -1.3474   -0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1760   -0.7982   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    0.2554   -1.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3384   -0.7871   -0.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3543    0.2123   -1.3067 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6069   -1.3480   -0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6492   -2.4300    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8582   -2.9029    1.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0528   -2.2872    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3340   -2.7980    1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9776   -1.1907   -0.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1154   -0.5321   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7152    1.0031   -1.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7036    2.2100   -2.5987 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3155    2.0111   -3.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485    3.2019   -2.4171 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0299    3.6014   -0.4050 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3800    2.6372    1.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9999   -3.1666    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1476   -3.7332    1.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8541   -2.1206    2.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7214    1.2810   -4.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3323    2.9938   -4.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3597    1.6192   -3.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6621    4.2053   -2.4397 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844    4.3207   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2279    2.6372    0.1099 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158    3.9920   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568    1.2617    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
4-(Dimethylamino)-6-[2-(2,3-dimethyloxiran-2-yl)-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-10-yl]-2,4-dimethyloxan-3-yl acetic acid	Generator

Chemical Formula

C₃₃H₃₅NO₉

Average Mass

589.6410 Da

Monoisotopic Mass

589.23118 Da

IUPAC Name

(2S,3R,4S,6S)-4-(dimethylamino)-6-{2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-10-yl}-2,4-dimethyloxan-3-yl acetate

Traditional Name

(2S,3R,4S,6S)-4-(dimethylamino)-6-{2-[(2S,3S)-2,3-dimethyloxiran-2-yl]-11-hydroxy-5-methyl-4,7,12-trioxo-1-oxatetraphen-10-yl}-2,4-dimethyloxan-3-yl acetate

CAS Registry Number

Not Available

SMILES

CC1OC1(C)C1=CC(=O)C2=C(C)C=C3C(=O)C4=C(C(O)=C(C=C4)C4CC(C)(C(OC(C)=O)C(C)O4)N(C)C)C(=O)C3=C2O1

InChI Identifier

InChI=1S/C33H35NO9/c1-14-11-20-26(30-24(14)21(36)12-23(42-30)33(6)16(3)43-33)29(39)25-19(27(20)37)10-9-18(28(25)38)22-13-32(5,34(7)8)31(15(2)40-22)41-17(4)35/h9-12,15-16,22,31,38H,13H2,1-8H3

InChI Key

DLWNUUQBCVPEHS-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces	NPAtlas	8244880

Species Where Detected

Species Name	Source	Reference
Streptomyces sp. HP530	KNApSAcK Database	22123792

Chemical Taxonomy

Classification

Not classified

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	3.92	ALOGPS
logP	3.56	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	7.04	ChemAxon
pKa (Strongest Basic)	7.75	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	131.97 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	158.27 m³·mol⁻¹	ChemAxon
Polarizability	63.69 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA006909

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00017133

Chemspider ID

2299858

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3035678

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Saptomycin E (NP0022815)

MOL for NP0022815 (Saptomycin E)

3D MOL for NP0022815 (Saptomycin E)

3D SDF for NP0022815 (Saptomycin E)

3D-SDF for NP0022815 (Saptomycin E)

PDB for NP0022815 (Saptomycin E)

3D PDB for NP0022815 (Saptomycin E)

SMILES for NP0022815 (Saptomycin E)

INCHI for NP0022815 (Saptomycin E)

Structure for NP0022815 (Saptomycin E)

3D Structure for NP0022815 (Saptomycin E)