NP-MRD: Showing NP-Card for 6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine (NP0279725)

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Record Information

Version

1.0

Created at

2022-09-09 05:13:22 UTC

Updated at

2022-09-09 05:13:22 UTC

NP-MRD ID

NP0279725

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine

Description

NCI60_000262 belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines. 6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine is found in Streptomyces bluensis. Based on a literature review very few articles have been published on NCI60_000262.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092207132D          

 42 42  0  0  0  0            999 V2000
    3.0367    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309092207132D          

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   -1.0279   -2.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5128   -1.4123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1817   -0.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4367    0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2213    0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7692    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742    1.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3643    1.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7842    2.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2412    1.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4128    2.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2003    3.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9849    2.9302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1974    2.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3689    3.6951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8105    2.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5951    2.5910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313    0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2188   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6313   -0.7145    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3938   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -5.9045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -6.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -7.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -6.6190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  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
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  9 18  1  0  0  0  0
 18 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
  4 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
  3 33  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0279725

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC(N)=N.NC(O)=O.CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(C)C1(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C19H35NO14.CH5N3.CH3NO2/c1-5-19(30,4-22)16(34-17-7(20-2)9(24)8(23)6(3-21)32-17)18(31-5)33-15-13(28)11(26)10(25)12(27)14(15)29;2*2-1(3)4/h5-18,20-30H,3-4H2,1-2H3;(H5,2,3,4);2H2,(H,3,4)

> <INCHI_KEY>
OSPWHEMQQIBGLL-UHFFFAOYSA-N

> <FORMULA>
C21H43N5O16

> <MOLECULAR_WEIGHT>
621.594

> <EXACT_MASS>
621.270480325

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
47.62901399932382

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine

> <JCHEM_LOGP>
-6.087070735999999

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.407589815995511

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.82925650087398

> <JCHEM_PKA_STRONGEST_BASIC>
8.116625225734083

> <JCHEM_POLAR_SURFACE_AREA>
251.24999999999994

> <JCHEM_REFRACTIVITY>
105.7094

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0       5.668   2.300   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0       4.204   1.824   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       3.059   2.854   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.595   2.378   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.275   0.872   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.190   0.396   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.666  -1.068   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       0.239  -2.314   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -0.387  -3.721   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.518  -4.967   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.050  -4.806   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.108  -6.374   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       0.797  -7.620   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.640  -6.535   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.266  -7.942   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.545  -5.289   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.077  -5.450   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.919  -3.882   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -2.824  -2.636   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -2.206  -1.068   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      -2.682   0.396   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.146   0.872   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.436   1.301   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.192   2.643   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -0.680   2.643   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.464   3.969   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       0.450   3.409   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       0.771   4.915   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.374   5.946   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.839   5.470   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.235   5.391   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.555   6.897   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       3.380   4.361   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0       4.844   4.837   0.000  0.00  0.00           O+0
HETATM   35  N   UNK     0      12.378   1.334   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      11.608  -0.000   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      12.378  -1.334   0.000  0.00  0.00           N+0
HETATM   38  N   UNK     0      10.068  -0.000   0.000  0.00  0.00           N+0
HETATM   39  N   UNK     0       0.770 -11.022   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0       0.000 -12.355   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       0.770 -13.689   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -1.540 -12.355   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   33                                                  
CONECT    4    3    5   27                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   23                                                  
CONECT    7    6    8   20                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   18                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    9   19                                                  
CONECT   19   18                                                            
CONECT   20    7   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21    6   24   25                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25                                                            
CONECT   27    4   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31    3   34                                                  
CONECT   34   33                                                            
CONECT   35   36                                                            
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   40                                                            
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₄₃N₅O₁₆

Average Mass

621.5940 Da

Monoisotopic Mass

621.27048 Da

IUPAC Name

6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine

Traditional Name

6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine

CAS Registry Number

Not Available

SMILES

NC(N)=N.NC(O)=O.CNC1C(O)C(O)C(CO)OC1OC1C(OC2C(O)C(O)C(O)C(O)C2O)OC(C)C1(O)CO

InChI Identifier

InChI=1S/C19H35NO14.CH5N3.CH3NO2/c1-5-19(30,4-22)16(34-17-7(20-2)9(24)8(23)6(3-21)32-17)18(31-5)33-15-13(28)11(26)10(25)12(27)14(15)29;2*2-1(3)4/h5-18,20-30H,3-4H2,1-2H3;(H5,2,3,4);2H2,(H,3,4)

InChI Key

OSPWHEMQQIBGLL-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces bluensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Aminocyclitol glycosides

Alternative Parents

Substituents

Amino cyclitol glycoside
Glycosyl compound
O-glycosyl compound
Cyclohexanol
Cyclitol or derivatives
Monosaccharide
Oxane
Cyclic alcohol
Tetrahydrofuran
Tertiary alcohol
1,2-aminoalcohol
Secondary alcohol
Polyol
Acetal
Organoheterocyclic compound
Oxacycle
Secondary aliphatic amine
Secondary amine
Alcohol
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic nitrogen compound
Amine
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-6.1	ChemAxon
pKa (Strongest Acidic)	11.83	ChemAxon
pKa (Strongest Basic)	8.12	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	251.25 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	105.71 m³·mol⁻¹	ChemAxon
Polarizability	47.63 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

5143318

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6711171

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine (NP0279725)

MOL for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

3D MOL for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

3D SDF for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

3D-SDF for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

PDB for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

3D PDB for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

SMILES for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

INCHI for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

Structure for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)

3D Structure for NP0279725 (6-[(3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl)oxy]cyclohexane-1,2,3,4,5-pentol; carbamic acid; guanidine)