NP-MRD: Showing NP-Card for n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine (NP0244821)

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Record Information

Version

2.0

Created at

2022-09-07 05:41:53 UTC

Updated at

2022-09-07 05:41:53 UTC

NP-MRD ID

NP0244821

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine

Description

N-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine is found in Streptomyces griseus. N-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004241503552D          

 39 41  0  0  0  0            999 V2000
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 38 39  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004241503552D          

 39 41  0  0  0  0            999 V2000
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   -0.8235    0.9340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    0.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5304    1.6988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    0.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7566    0.5947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8004   -0.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -1.0192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2028   -0.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0128   -0.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8377   -0.5717    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
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 11 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  4 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  1  0  0  0  0
 23 36  1  0  0  0  0
  2 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0244821

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1OC(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)C(OC2OC(CO)C(O)C(O)C2N)C1(O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H37N7O12/c1-4-20(35,3-29)15(39-16-6(21)10(31)9(30)5(2-28)37-16)17(36-4)38-14-8(27-19(24)25)11(32)7(26-18(22)23)12(33)13(14)34/h3-17,28,30-35H,2,21H2,1H3,(H4,22,23,26)(H4,24,25,27)

> <INCHI_KEY>
JRXYPBHDEAIYID-UHFFFAOYSA-N

> <FORMULA>
C20H37N7O12

> <MOLECULAR_WEIGHT>
567.553

> <EXACT_MASS>
567.250019659

> <JCHEM_ACCEPTOR_COUNT>
19

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
52.97762481573264

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine

> <ALOGPS_LOGP>
-2.62

> <JCHEM_LOGP>
-7.924133253014503

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.580572376349096

> <JCHEM_PKA_STRONGEST_BASIC>
11.6002617621818

> <JCHEM_POLAR_SURFACE_AREA>
345.42

> <JCHEM_REFRACTIVITY>
144.69610000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.93e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-APR-15         0                                  
HETATM    1  C   UNK     0      -3.845  -2.854   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.380  -3.330   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -1.904  -4.795   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -0.364  -4.795   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.541  -6.041   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -0.086  -7.448   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.820  -8.693   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.351  -8.532   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       0.193 -10.100   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.098 -11.346   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      -1.338 -10.261   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      -1.965 -11.668   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      -3.496 -11.829   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -4.123 -13.236   0.000  0.00  0.00           N+0
HETATM   15  N   UNK     0      -4.402 -10.583   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      -2.244  -9.015   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -3.775  -9.176   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.617  -7.609   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      -2.522  -6.363   0.000  0.00  0.00           N+0
HETATM   20  C   UNK     0      -4.054  -6.524   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0      -4.680  -7.930   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0      -4.959  -5.278   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0       0.111  -3.330   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.576  -2.854   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       1.896  -1.348   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       0.752  -0.317   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.072   1.189   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -0.073   2.219   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -1.537   1.743   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.537   1.665   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.857   3.171   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0       3.681   0.634   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.146   1.110   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       3.361  -0.872   0.000  0.00  0.00           C+0
HETATM   35  N   UNK     0       4.505  -1.903   0.000  0.00  0.00           N+0
HETATM   36  C   UNK     0      -1.134  -2.425   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      -0.379  -1.083   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -1.890  -1.083   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -3.430  -1.067   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   36                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   23                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   18                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16    6   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23    4   24   36                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   34                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   25   35                                                  
CONECT   35   34                                                            
CONECT   36   23    2   37   38                                             
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₃₇N₇O₁₂

Average Mass

567.5530 Da

Monoisotopic Mass

567.25002 Da

IUPAC Name

N-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine

Traditional Name

N-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine

CAS Registry Number

Not Available

SMILES

CC1OC(OC2C(O)C(O)C(NC(N)=N)C(O)C2NC(N)=N)C(OC2OC(CO)C(O)C(O)C2N)C1(O)C=O

InChI Identifier

InChI=1S/C20H37N7O12/c1-4-20(35,3-29)15(39-16-6(21)10(31)9(30)5(2-28)37-16)17(36-4)38-14-8(27-19(24)25)11(32)7(26-18(22)23)12(33)13(14)34/h3-17,28,30-35H,2,21H2,1H3,(H4,22,23,26)(H4,24,25,27)

InChI Key

JRXYPBHDEAIYID-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 griseus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Alkyl-phenylketone
Acetophenone
Phenylketone
Phenoxy compound
Benzoyl
Aryl alkyl ketone
Aryl ketone
Phenol ether
Alkyl aryl ether
Monocyclic benzene moiety
Benzenoid
Ketone
Monocarboxylic acid or derivatives
Ether
Carboxylic acid derivative
Carboxylic acid
Organic oxygen compound
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	-2.6	ALOGPS
logP	-7.9	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	10.58	ChemAxon
pKa (Strongest Basic)	11.6	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	19	ChemAxon
Hydrogen Donor Count	14	ChemAxon
Polar Surface Area	345.42 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	144.7 m³·mol⁻¹	ChemAxon
Polarizability	52.98 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

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

44380758

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine (NP0244821)

MOL for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

3D MOL for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

3D SDF for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

3D-SDF for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

PDB for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

3D PDB for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

SMILES for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

INCHI for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

Structure for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)

3D Structure for NP0244821 (n-{4-[(3-{[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl)oxy]-3-carbamimidamido-2,5,6-trihydroxycyclohexyl}guanidine)