NP-MRD: Showing NP-Card for Otitiglycomycin A (NP0350598)

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Record Information

Version

2.0

Created at

2025-01-11 17:45:19 UTC

Updated at

2025-01-13 00:02:25 UTC

NP-MRD ID

NP0350598

Natural Product DOI

https://doi.org/10.57994/3576

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Otitiglycomycin A

Description

Based on a literature review very few articles have been published on Otitiglycomycin A.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04102317542D          

 42 42  0  0  1  0            999 V2000
   17.1473  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -11.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2907  -11.1375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2907  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052  -11.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7197  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052  -12.3750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.7197  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -12.3750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2907  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -13.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5762  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  2  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 21 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 35  1  0  0  0  0
 34 36  1  6  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END


  Mrv2104 04102317542D          

 42 42  0  0  1  0            999 V2000
   17.1473  -12.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158  -11.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013  -11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -11.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2907  -11.1375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.2907  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052  -11.5500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7197  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0052  -12.3750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.7197  -12.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7197  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -12.3750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2907  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -12.7875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618  -13.6125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.5762  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762  -14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473  -14.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328  -13.6125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  2 20  1  0  0  0  0
 21 20  1  6  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  2  0  0  0  0
 22 29  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  0  0  0  0
 21 34  1  0  0  0  0
 34 35  1  0  0  0  0
 31 35  1  0  0  0  0
 34 36  1  6  0  0  0
 37 36  1  1  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 37 41  1  0  0  0  0
 41 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0350598

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H](CO)C(O)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C31H56O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(34)41-28-27(42-30(38)22(2)3)26(35)23(20-32)39-31(28)40-24(21-33)29(36)37/h22-24,26-28,31-33,35H,4-21H2,1-3H3,(H,36,37)/t23-,24-,26-,27+,28-,31-/m1/s1

> <INCHI_KEY>
FWOWNJPLFPAJDQ-SVHFUYGWSA-N

> <FORMULA>
C31H56O11

> <MOLECULAR_WEIGHT>
604.778

> <EXACT_MASS>
604.382262623

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
69.48647017765737

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-3-hydroxy-2-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]-3-(octadecanoyloxy)oxan-2-yl]oxy}propanoic acid

> <JCHEM_LOGP>
6.205263637666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.0018068933475

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.2168105488264844

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9811037373063654

> <JCHEM_POLAR_SURFACE_AREA>
169.04999999999998

> <JCHEM_REFRACTIVITY>
153.94310000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
26

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-hydroxy-2-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]-3-(octadecanoyloxy)oxan-2-yl]oxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-APR-23         0                                  
HETATM    1  O   UNK     0      32.008 -23.100   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      32.008 -21.560   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      30.675 -20.790   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      29.341 -21.560   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      28.007 -20.790   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      26.674 -21.560   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      25.340 -20.790   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      24.006 -21.560   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      22.673 -20.790   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      21.339 -21.560   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      20.005 -20.790   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.672 -21.560   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.338 -20.790   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.004 -21.560   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.670 -20.790   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.337 -21.560   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003 -20.790   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.669 -21.560   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.336 -20.790   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      33.342 -20.790   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      34.676 -21.560   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      36.009 -20.790   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      36.009 -19.250   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      34.676 -18.480   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      34.676 -16.940   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      33.342 -16.170   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      36.009 -16.170   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      33.342 -19.250   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      37.343 -21.560   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      38.677 -20.790   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      37.343 -23.100   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      38.677 -23.870   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      38.677 -25.410   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      34.676 -23.100   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      36.009 -23.870   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      33.342 -23.870   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      33.342 -25.410   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      34.676 -26.180   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      34.676 -27.720   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      36.009 -25.410   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      32.008 -26.180   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      30.675 -25.410   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20    2   21                                                       
CONECT   21   20   22   34                                                  
CONECT   22   21   23   29                                                  
CONECT   23   22   24                                                       
CONECT   24   23   25   28                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   24                                                            
CONECT   29   22   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   35                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   21   35   36                                                  
CONECT   35   34   31                                                       
CONECT   36   34   37                                                       
CONECT   37   36   38   41                                                  
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41   37   42                                                       
CONECT   42   41                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₅₆O₁₁

Average Mass

604.7780 Da

Monoisotopic Mass

604.38226 Da

IUPAC Name

(2R)-3-hydroxy-2-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]-3-(octadecanoyloxy)oxan-2-yl]oxy}propanoic acid

Traditional Name

(2R)-3-hydroxy-2-{[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropanoyl)oxy]-3-(octadecanoyloxy)oxan-2-yl]oxy}propanoic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H](CO)C(O)=O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)C(C)C

InChI Identifier

InChI=1S/C31H56O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(34)41-28-27(42-30(38)22(2)3)26(35)23(20-32)39-31(28)40-24(21-33)29(36)37/h22-24,26-28,31-33,35H,4-21H2,1-3H3,(H,36,37)/t23-,24-,26-,27+,28-,31-/m1/s1

InChI Key

FWOWNJPLFPAJDQ-SVHFUYGWSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	mehdi.beniddir@universite-paris-saclay.fr	Not Available	Not Available	2025-01-11	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	mehdi.beniddir@universite-paris-saclay.fr	Not Available	Not Available	2025-01-11	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	mehdi.beniddir@universite-paris-saclay.fr	Not Available	Not Available	2025-01-11	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental)	mehdi.beniddir@universite-paris-saclay.fr	Not Available	Not Available	2025-01-11	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CD3OD, experimental)	mehdi.beniddir@universite-paris-saclay.fr	Not Available	Not Available	2025-01-11	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, CD3OD, experimental)	mehdi.beniddir@universite-paris-saclay.fr	Not Available	Not Available	2025-01-11	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Nocardia otitidiscavarum		Not Available

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	6.21	ChemAxon
pKa (Strongest Acidic)	3.22	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	169.05 Å²	ChemAxon
Rotatable Bond Count	26	ChemAxon
Refractivity	153.94 m³·mol⁻¹	ChemAxon
Polarizability	69.49 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Otitiglycomycin A (NP0350598)

MOL for NP0350598 (Otitiglycomycin A)

3D MOL for NP0350598 (Otitiglycomycin A)

3D SDF for NP0350598 (Otitiglycomycin A)

3D-SDF for NP0350598 (Otitiglycomycin A)

PDB for NP0350598 (Otitiglycomycin A)

3D PDB for NP0350598 (Otitiglycomycin A)

SMILES for NP0350598 (Otitiglycomycin A)

INCHI for NP0350598 (Otitiglycomycin A)

Structure for NP0350598 (Otitiglycomycin A)

3D Structure for NP0350598 (Otitiglycomycin A)