NP-MRD: Showing NP-Card for L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone (NP0018088)

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Record Information

Version

2.0

Created at

2021-01-06 02:41:16 UTC

Updated at

2021-07-15 17:27:16 UTC

NP-MRD ID

NP0018088

Secondary Accession Numbers

None

Natural Product Identification

Common Name

L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone

Provided By

NPAtlas

Description

L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone is found in Streptomyces. Based on a literature review very few articles have been published on CHEMBL4169773.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307042107393D          

106112  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652307042107393D          

106112  0  0  0  0            999 V2000
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 53106  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0018088

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C2C(=O)C3=C(C(=O)C2=C([H])C([H])=C1[H])C(O[H])=C1C(=C3O[H])[C@@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C4([H])[H])[C@@]([H])(O[H])C3([H])[H])C([H])([H])C2([H])[H])C([H])([H])[C@](O[H])(C([H])([H])C([H])([H])[H])[C@]1([H])C(=O)OC([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C40H50O16/c1-6-40(49)15-24(29-30(33(40)39(48)50-5)37(47)31-32(36(29)46)35(45)28-19(34(31)44)8-7-9-21(28)42)55-25-13-11-23(17(3)52-25)54-27-14-22(43)38(18(4)53-27)56-26-12-10-20(41)16(2)51-26/h7-9,16-18,20,22-27,33,38,41-43,46-47,49H,6,10-15H2,1-5H3/t16-,17-,18-,20-,22-,23-,24-,25-,26-,27-,33-,38+,40+/m0/s1

> <INCHI_KEY>
WVOQDSHZOGQTQR-XUSTYOIPSA-N

> <FORMULA>
C40H50O16

> <MOLECULAR_WEIGHT>
786.824

> <EXACT_MASS>
786.30988553

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
106

> <JCHEM_AVERAGE_POLARIZABILITY>
82.36701549346665

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-{[(2R,5S,6S)-5-{[(2S,4S,5S,6S)-4-hydroxy-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

> <ALOGPS_LOGP>
2.44

> <JCHEM_LOGP>
4.9950284903333335

> <ALOGPS_LOGS>
-3.45

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.39938536262203

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.747418470654563

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1508468028180143

> <JCHEM_POLAR_SURFACE_AREA>
237.19999999999996

> <JCHEM_REFRACTIVITY>
194.22340000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.77e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-{[(2R,5S,6S)-5-{[(2S,4S,5S,6S)-4-hydroxy-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

106112  0  0  0  0  0  0  0  0999 V2000
   -5.2932   -4.3010   -2.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9346   -2.9201   -2.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8454   -2.2229   -2.1147 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6933   -3.0699   -2.2712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4632   -1.0068   -2.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3014    0.2813   -2.1784 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0864    0.2002   -1.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001    1.0682   -1.9949 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6354    1.8751   -0.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    1.0873    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382    0.7367   -0.7767 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6545    1.5301   -0.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638    0.7586    0.0179 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8298    0.7693   -0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8039   -0.2939   -0.5011 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2302   -1.5620   -0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    0.0720    0.9055 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8704   -1.0029    1.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1931   -0.7060    1.7679 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5300   -0.7470    3.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0080   -0.6206    3.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7291   -0.1971    2.1469 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6306    1.1742    1.9224 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2860   -1.0073    0.9493 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2555   -0.2001   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0592   -1.5948    1.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4941   -0.6166    2.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4658    2.0612   -2.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0810    0.3182   -2.5272 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6112    0.6383    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2299   -1.6427    1.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8221   -0.6769   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9796   -1.9058   -0.6822 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2756   -3.0164    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3612   -3.4074    1.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4352   -3.7316    0.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -4.8149    1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7486    0.7591    1.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1128   -0.1884    2.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4984    2.0389    1.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5818    2.1241    2.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2975    3.3031    2.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9806    4.4050    1.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8808    4.3319    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5721    5.4354   -0.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1678    3.1391    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0218    2.9952   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6446    3.9527   -0.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3707   -4.9301   -3.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5406   -4.8770   -1.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3231   -4.3851   -2.0779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6121   -2.9181   -3.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8832   -2.3209   -2.8781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2446   -3.1907   -1.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2125   -0.8284   -3.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5152   -1.2300   -3.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106    1.0960   -2.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4448    1.7747   -2.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1919    2.8514   -1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5053    2.1392   -0.1394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1952    0.1935    0.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    1.7582    0.8560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8045   -0.3236   -0.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3445   -0.3036    0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3271    1.7486   -0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650    0.5979   -2.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716   -0.2810   -1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7607   -1.6076   -1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9656    0.8897    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4103    0.3010    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2037   -1.7097    3.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9638    0.0513    3.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4817   -1.5185    3.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2001    0.2022    4.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8118   -0.4123    2.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4112    1.5392    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0138   -1.8481    0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2979    0.3544   -0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1165    0.4940   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2618   -0.9475   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5859    1.1845    2.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -0.2609    3.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567   -0.8684    3.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890   -1.4993    1.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515    0.0172   -2.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5647    2.5537   -3.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144    2.7949   -2.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2354    1.9970   -3.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1332    2.7875   -2.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8611   -1.9166    1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155   -1.5152   -0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3370   -4.5571    2.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9938   -5.6528    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6943   -5.0980    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8322    1.2491    2.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1539    3.3461    3.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5294    5.3308    1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8892    5.6293   -0.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 17 27  1  0
 27 28  1  0
 27 29  1  0
 11 30  1  0
 30 31  1  0
 30 32  1  0
  6 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 40 41  1  0
 41 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 37 46  1  0
 46 47  2  0
 46 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  1  0
 52 54  2  0
 54 55  1  0
 55 56  2  0
 41  3  1  0
 54 48  1  0
 32  8  1  0
 40 33  1  0
 29 13  1  0
 55 36  1  0
 26 19  1  0
  1 57  1  0
  1 58  1  0
  1 59  1  0
  2 60  1  0
  2 61  1  0
  4 62  1  0
  5 63  1  0
  5 64  1  0
  6 65  1  6
  8 66  1  6
  9 67  1  0
  9 68  1  0
 10 69  1  0
 10 70  1  0
 11 71  1  1
 13 72  1  1
 14 73  1  0
 14 74  1  0
 15 75  1  6
 16 76  1  0
 17 77  1  6
 19 78  1  6
 20 79  1  0
 20 80  1  0
 21 81  1  0
 21 82  1  0
 22 83  1  1
 23 84  1  0
 24 85  1  6
 25 86  1  0
 25 87  1  0
 25 88  1  0
 27 89  1  1
 28 90  1  0
 28 91  1  0
 28 92  1  0
 30 93  1  6
 31 94  1  0
 31 95  1  0
 31 96  1  0
 35 97  1  0
 39 98  1  0
 41 99  1  1
 45100  1  0
 45101  1  0
 45102  1  0
 49103  1  0
 50104  1  0
 51105  1  0
 53106  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      -5.293  -4.301  -2.466  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.935  -2.920  -2.841  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.845  -2.223  -2.115  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.693  -3.070  -2.271  0.00  0.00           O+0
HETATM    5  C   UNK     0      -3.463  -1.007  -2.943  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.301   0.281  -2.178  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.086   0.200  -1.570  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.100   1.068  -1.995  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.635   1.875  -0.810  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.331   1.087   0.035  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.538   0.737  -0.777  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.655   1.530  -0.519  0.00  0.00           O+0
HETATM   13  C   UNK     0       3.664   0.759   0.018  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.830   0.769  -0.992  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.804  -0.294  -0.501  0.00  0.00           C+0
HETATM   16  O   UNK     0       5.230  -1.562  -0.571  0.00  0.00           O+0
HETATM   17  C   UNK     0       6.218   0.072   0.906  0.00  0.00           C+0
HETATM   18  O   UNK     0       6.870  -1.003   1.527  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.193  -0.706   1.768  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.530  -0.747   3.246  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.008  -0.621   3.407  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.729  -0.197   2.147  0.00  0.00           C+0
HETATM   23  O   UNK     0      10.631   1.174   1.922  0.00  0.00           O+0
HETATM   24  C   UNK     0      10.286  -1.007   0.949  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.255  -0.200  -0.329  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.059  -1.595   1.126  0.00  0.00           O+0
HETATM   27  C   UNK     0       5.109   0.528   1.786  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.494  -0.617   2.578  0.00  0.00           C+0
HETATM   29  O   UNK     0       4.169   1.309   1.167  0.00  0.00           O+0
HETATM   30  C   UNK     0       1.191   0.715  -2.238  0.00  0.00           C+0
HETATM   31  C   UNK     0       1.466   2.061  -2.837  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.081   0.318  -2.527  0.00  0.00           O+0
HETATM   33  C   UNK     0      -4.475   0.448  -1.285  0.00  0.00           C+0
HETATM   34  C   UNK     0      -5.183   1.612  -1.193  0.00  0.00           C+0
HETATM   35  O   UNK     0      -4.883   2.740  -1.926  0.00  0.00           O+0
HETATM   36  C   UNK     0      -6.279   1.734  -0.330  0.00  0.00           C+0
HETATM   37  C   UNK     0      -6.611   0.638   0.419  0.00  0.00           C+0
HETATM   38  C   UNK     0      -5.892  -0.569   0.337  0.00  0.00           C+0
HETATM   39  O   UNK     0      -6.230  -1.643   1.089  0.00  0.00           O+0
HETATM   40  C   UNK     0      -4.822  -0.677  -0.513  0.00  0.00           C+0
HETATM   41  C   UNK     0      -3.980  -1.906  -0.682  0.00  0.00           C+0
HETATM   42  C   UNK     0      -4.276  -3.016   0.202  0.00  0.00           C+0
HETATM   43  O   UNK     0      -3.361  -3.407   1.028  0.00  0.00           O+0
HETATM   44  O   UNK     0      -5.435  -3.732   0.280  0.00  0.00           O+0
HETATM   45  C   UNK     0      -5.635  -4.815   1.184  0.00  0.00           C+0
HETATM   46  C   UNK     0      -7.749   0.759   1.310  0.00  0.00           C+0
HETATM   47  O   UNK     0      -8.113  -0.188   2.022  0.00  0.00           O+0
HETATM   48  C   UNK     0      -8.498   2.039   1.379  0.00  0.00           C+0
HETATM   49  C   UNK     0      -9.582   2.124   2.239  0.00  0.00           C+0
HETATM   50  C   UNK     0     -10.297   3.303   2.322  0.00  0.00           C+0
HETATM   51  C   UNK     0      -9.981   4.405   1.583  0.00  0.00           C+0
HETATM   52  C   UNK     0      -8.881   4.332   0.705  0.00  0.00           C+0
HETATM   53  O   UNK     0      -8.572   5.435  -0.027  0.00  0.00           O+0
HETATM   54  C   UNK     0      -8.168   3.139   0.630  0.00  0.00           C+0
HETATM   55  C   UNK     0      -7.022   2.995  -0.259  0.00  0.00           C+0
HETATM   56  O   UNK     0      -6.645   3.953  -0.985  0.00  0.00           O+0
HETATM   57  H   UNK     0      -5.371  -4.930  -3.439  0.00  0.00           H+0
HETATM   58  H   UNK     0      -4.541  -4.877  -1.901  0.00  0.00           H+0
HETATM   59  H   UNK     0      -6.323  -4.385  -2.078  0.00  0.00           H+0
HETATM   60  H   UNK     0      -4.612  -2.918  -3.935  0.00  0.00           H+0
HETATM   61  H   UNK     0      -5.883  -2.321  -2.878  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.245  -3.191  -1.418  0.00  0.00           H+0
HETATM   63  H   UNK     0      -4.213  -0.828  -3.750  0.00  0.00           H+0
HETATM   64  H   UNK     0      -2.515  -1.230  -3.467  0.00  0.00           H+0
HETATM   65  H   UNK     0      -3.311   1.096  -2.959  0.00  0.00           H+0
HETATM   66  H   UNK     0      -1.445   1.775  -2.774  0.00  0.00           H+0
HETATM   67  H   UNK     0      -0.192   2.851  -1.063  0.00  0.00           H+0
HETATM   68  H   UNK     0      -1.505   2.139  -0.139  0.00  0.00           H+0
HETATM   69  H   UNK     0      -0.195   0.194   0.437  0.00  0.00           H+0
HETATM   70  H   UNK     0       0.672   1.758   0.856  0.00  0.00           H+0
HETATM   71  H   UNK     0       1.805  -0.324  -0.450  0.00  0.00           H+0
HETATM   72  H   UNK     0       3.345  -0.304   0.137  0.00  0.00           H+0
HETATM   73  H   UNK     0       5.327   1.749  -0.860  0.00  0.00           H+0
HETATM   74  H   UNK     0       4.465   0.598  -2.005  0.00  0.00           H+0
HETATM   75  H   UNK     0       6.672  -0.281  -1.167  0.00  0.00           H+0
HETATM   76  H   UNK     0       4.761  -1.608  -1.441  0.00  0.00           H+0
HETATM   77  H   UNK     0       6.966   0.890   0.792  0.00  0.00           H+0
HETATM   78  H   UNK     0       8.410   0.301   1.412  0.00  0.00           H+0
HETATM   79  H   UNK     0       8.204  -1.710   3.686  0.00  0.00           H+0
HETATM   80  H   UNK     0       7.964   0.051   3.773  0.00  0.00           H+0
HETATM   81  H   UNK     0      10.482  -1.519   3.854  0.00  0.00           H+0
HETATM   82  H   UNK     0      10.200   0.202   4.154  0.00  0.00           H+0
HETATM   83  H   UNK     0      11.812  -0.412   2.301  0.00  0.00           H+0
HETATM   84  H   UNK     0      11.411   1.539   1.464  0.00  0.00           H+0
HETATM   85  H   UNK     0      11.014  -1.848   0.759  0.00  0.00           H+0
HETATM   86  H   UNK     0       9.298   0.354  -0.428  0.00  0.00           H+0
HETATM   87  H   UNK     0      11.117   0.494  -0.422  0.00  0.00           H+0
HETATM   88  H   UNK     0      10.262  -0.948  -1.174  0.00  0.00           H+0
HETATM   89  H   UNK     0       5.586   1.185   2.576  0.00  0.00           H+0
HETATM   90  H   UNK     0       3.549  -0.261   3.028  0.00  0.00           H+0
HETATM   91  H   UNK     0       5.157  -0.868   3.457  0.00  0.00           H+0
HETATM   92  H   UNK     0       4.289  -1.499   1.976  0.00  0.00           H+0
HETATM   93  H   UNK     0       1.952   0.017  -2.706  0.00  0.00           H+0
HETATM   94  H   UNK     0       0.565   2.554  -3.283  0.00  0.00           H+0
HETATM   95  H   UNK     0       1.914   2.795  -2.135  0.00  0.00           H+0
HETATM   96  H   UNK     0       2.235   1.997  -3.670  0.00  0.00           H+0
HETATM   97  H   UNK     0      -4.133   2.788  -2.561  0.00  0.00           H+0
HETATM   98  H   UNK     0      -6.861  -1.917   1.742  0.00  0.00           H+0
HETATM   99  H   UNK     0      -2.916  -1.515  -0.374  0.00  0.00           H+0
HETATM  100  H   UNK     0      -5.337  -4.557   2.219  0.00  0.00           H+0
HETATM  101  H   UNK     0      -4.994  -5.653   0.797  0.00  0.00           H+0
HETATM  102  H   UNK     0      -6.694  -5.098   1.114  0.00  0.00           H+0
HETATM  103  H   UNK     0      -9.832   1.249   2.825  0.00  0.00           H+0
HETATM  104  H   UNK     0     -11.154   3.346   3.012  0.00  0.00           H+0
HETATM  105  H   UNK     0     -10.529   5.331   1.637  0.00  0.00           H+0
HETATM  106  H   UNK     0      -7.889   5.629  -0.676  0.00  0.00           H+0
CONECT    1    2   57   58   59                                             
CONECT    2    1    3   60   61                                             
CONECT    3    2    4    5   41                                             
CONECT    4    3   62                                                       
CONECT    5    3    6   63   64                                             
CONECT    6    5    7   33   65                                             
CONECT    7    6    8                                                       
CONECT    8    7    9   32   66                                             
CONECT    9    8   10   67   68                                             
CONECT   10    9   11   69   70                                             
CONECT   11   10   12   30   71                                             
CONECT   12   11   13                                                       
CONECT   13   12   14   29   72                                             
CONECT   14   13   15   73   74                                             
CONECT   15   14   16   17   75                                             
CONECT   16   15   76                                                       
CONECT   17   15   18   27   77                                             
CONECT   18   17   19                                                       
CONECT   19   18   20   26   78                                             
CONECT   20   19   21   79   80                                             
CONECT   21   20   22   81   82                                             
CONECT   22   21   23   24   83                                             
CONECT   23   22   84                                                       
CONECT   24   22   25   26   85                                             
CONECT   25   24   86   87   88                                             
CONECT   26   24   19                                                       
CONECT   27   17   28   29   89                                             
CONECT   28   27   90   91   92                                             
CONECT   29   27   13                                                       
CONECT   30   11   31   32   93                                             
CONECT   31   30   94   95   96                                             
CONECT   32   30    8                                                       
CONECT   33    6   34   40                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34   97                                                       
CONECT   36   34   37   55                                                  
CONECT   37   36   38   46                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38   98                                                       
CONECT   40   38   41   33                                                  
CONECT   41   40   42    3   99                                             
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45                                                       
CONECT   45   44  100  101  102                                             
CONECT   46   37   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   49   54                                                  
CONECT   49   48   50  103                                                  
CONECT   50   49   51  104                                                  
CONECT   51   50   52  105                                                  
CONECT   52   51   53   54                                                  
CONECT   53   52  106                                                       
CONECT   54   52   55   48                                                  
CONECT   55   54   56   36                                                  
CONECT   56   55                                                            
CONECT   57    1                                                            
CONECT   58    1                                                            
CONECT   59    1                                                            
CONECT   60    2                                                            
CONECT   61    2                                                            
CONECT   62    4                                                            
CONECT   63    5                                                            
CONECT   64    5                                                            
CONECT   65    6                                                            
CONECT   66    8                                                            
CONECT   67    9                                                            
CONECT   68    9                                                            
CONECT   69   10                                                            
CONECT   70   10                                                            
CONECT   71   11                                                            
CONECT   72   13                                                            
CONECT   73   14                                                            
CONECT   74   14                                                            
CONECT   75   15                                                            
CONECT   76   16                                                            
CONECT   77   17                                                            
CONECT   78   19                                                            
CONECT   79   20                                                            
CONECT   80   20                                                            
CONECT   81   21                                                            
CONECT   82   21                                                            
CONECT   83   22                                                            
CONECT   84   23                                                            
CONECT   85   24                                                            
CONECT   86   25                                                            
CONECT   87   25                                                            
CONECT   88   25                                                            
CONECT   89   27                                                            
CONECT   90   28                                                            
CONECT   91   28                                                            
CONECT   92   28                                                            
CONECT   93   30                                                            
CONECT   94   31                                                            
CONECT   95   31                                                            
CONECT   96   31                                                            
CONECT   97   35                                                            
CONECT   98   39                                                            
CONECT   99   41                                                            
CONECT  100   45                                                            
CONECT  101   45                                                            
CONECT  102   45                                                            
CONECT  103   49                                                            
CONECT  104   50                                                            
CONECT  105   51                                                            
CONECT  106   53                                                            
MASTER        0    0    0    0    0    0    0    0  106    0  224    0
END

RDKit          3D

106112  0  0  0  0  0  0  0  0999 V2000
   -5.2932   -4.3010   -2.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9346   -2.9201   -2.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8454   -2.2229   -2.1147 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6933   -3.0699   -2.2712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4632   -1.0068   -2.9435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3014    0.2813   -2.1784 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0864    0.2002   -1.5703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1001    1.0682   -1.9949 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6354    1.8751   -0.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    1.0873    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5382    0.7367   -0.7767 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6545    1.5301   -0.5185 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6638    0.7586    0.0179 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8298    0.7693   -0.9917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8039   -0.2939   -0.5011 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2302   -1.5620   -0.5711 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2182    0.0720    0.9055 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8704   -1.0029    1.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1931   -0.7060    1.7679 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5300   -0.7470    3.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0080   -0.6206    3.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7291   -0.1971    2.1469 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6306    1.1742    1.9224 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2860   -1.0073    0.9493 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2555   -0.2001   -0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0592   -1.5948    1.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1089    0.5282    1.7859 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4941   -0.6166    2.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688    1.3088    1.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1907    0.7153   -2.2382 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4658    2.0612   -2.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.4749    0.4480   -1.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1828    1.6119   -1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8828    2.7401   -1.9258 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6112    0.6383    0.4186 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.2299   -1.6427    1.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8221   -0.6769   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9796   -1.9058   -0.6822 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2756   -3.0164    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3612   -3.4074    1.0284 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4352   -3.7316    0.2800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6352   -4.8149    1.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7486    0.7591    1.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1128   -0.1884    2.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4984    2.0389    1.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5818    2.1241    2.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2975    3.3031    2.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9806    4.4050    1.5833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8808    4.3319    0.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5721    5.4354   -0.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1678    3.1391    0.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.6446    3.9527   -0.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7607   -1.6076   -1.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9656    0.8897    0.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4103    0.3010    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2037   -1.7097    3.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9638    0.0513    3.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4817   -1.5185    3.8538 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2001    0.2022    4.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8118   -0.4123    2.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4112    1.5392    1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0138   -1.8481    0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2979    0.3544   -0.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1165    0.4940   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2618   -0.9475   -1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5859    1.1845    2.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -0.2609    3.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1567   -0.8684    3.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2890   -1.4993    1.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515    0.0172   -2.7059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5647    2.5537   -3.2834 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9144    2.7949   -2.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2354    1.9970   -3.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1332    2.7875   -2.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8611   -1.9166    1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9155   -1.5152   -0.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3370   -4.5571    2.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9938   -5.6528    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.8322    1.2491    2.8247 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1539    3.3461    3.0118 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.8892    5.6293   -0.6764 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
Methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-{[(2R,5S,6S)-5-{[(2S,4S,5S,6S)-4-hydroxy-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid	Generator

Chemical Formula

C₄₀H₅₀O₁₆

Average Mass

786.8240 Da

Monoisotopic Mass

786.30989 Da

IUPAC Name

methyl (1R,2R,4S)-2-ethyl-2,5,7,12-tetrahydroxy-4-{[(2R,5S,6S)-5-{[(2S,4S,5S,6S)-4-hydroxy-5-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2CC[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CC[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)C2=C(O)C3=C(C(O)=C2[C@H]1C(=O)OC)C(=O)C1=C(C(O)=CC=C1)C3=O

InChI Identifier

InChI=1S/C40H50O16/c1-6-40(49)15-24(29-30(33(40)39(48)50-5)37(47)31-32(36(29)46)35(45)28-19(34(31)44)8-7-9-21(28)42)55-25-13-11-23(17(3)52-25)54-27-14-22(43)38(18(4)53-27)56-26-12-10-20(41)16(2)51-26/h7-9,16-18,20,22-27,33,38,41-43,46-47,49H,6,10-15H2,1-5H3/t16-,17-,18-,20-,22-,23-,24-,25-,26-,27-,33-,38+,40+/m0/s1

InChI Key

WVOQDSHZOGQTQR-XUSTYOIPSA-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	29767975

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	2.44	ALOGPS
logP	5	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	7.75	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	237.2 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	194.22 m³·mol⁻¹	ChemAxon
Polarizability	82.37 Å³	ChemAxon
Number of Rings	7	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

NPAtlas ID

NPA022638

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

78439061

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139589976

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone (NP0018088)

MOL for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

3D MOL for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

3D SDF for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

3D-SDF for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

PDB for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

3D PDB for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

SMILES for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

INCHI for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

Structure for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)

3D Structure for NP0018088 (L-rhodinose-2-deoxy-L-fucose-L-rhodinose-ε-rhodomycinone)