NP-MRD: Showing NP-Card for (1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate (NP0256652)

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Record Information

Version

2.0

Created at

2022-09-07 21:32:57 UTC

Updated at

2022-09-07 21:32:57 UTC

NP-MRD ID

NP0256652

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate

Description

(1R,2S,3E,4S,6R)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-2-carboxylate belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate is found in Campylospermum glaucum. Based on a literature review very few articles have been published on (1R,2S,3E,4S,6R)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-2-carboxylate.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072223322D          

 39 42  0  0  1  0            999 V2000
    0.6078    2.7027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3222    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7512    4.7652    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0367    4.3527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 29 38  1  0  0  0  0
  4 38  1  0  0  0  0
 38 39  1  1  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072223322D          

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  5  6  1  1  0  0  0
  7  6  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
 10 11  1  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
  7 16  1  0  0  0  0
 16 17  1  1  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 23 28  1  0  0  0  0
 19 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 33 37  1  0  0  0  0
 29 38  1  0  0  0  0
  4 38  1  0  0  0  0
 38 39  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0256652

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](O[C@H]2C[C@@H](OC(=O)C3=CC=CC=C3)[C@H](OC(=O)C3=CC=CN3)[C@@H](O)\C2=C/C#N)[C@H](O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H28N2O11/c27-9-8-14-16(37-26-22(33)21(32)20(31)18(12-29)38-26)11-17(36-24(34)13-5-2-1-3-6-13)23(19(14)30)39-25(35)15-7-4-10-28-15/h1-8,10,16-23,26,28-33H,11-12H2/b14-8-/t16-,17+,18+,19-,20-,21-,22+,23-,26+/m0/s1

> <INCHI_KEY>
CPYMRMLEZYENLQ-GFLIQAPASA-N

> <FORMULA>
C26H28N2O11

> <MOLECULAR_WEIGHT>
544.513

> <EXACT_MASS>
544.16930973

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
52.611472696363315

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2S,3E,4S,6R)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-2-carboxylate

> <JCHEM_LOGP>
-0.2070348813333328

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.609589758156499

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.049173550657967

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810836844765767

> <JCHEM_POLAR_SURFACE_AREA>
211.78999999999996

> <JCHEM_REFRACTIVITY>
130.63100000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2S,3E,4S,6R)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  N   UNK     0       1.134   5.045   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.468   5.815   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.802   6.585   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.136   5.815   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.469   6.585   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       6.469   8.125   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       5.136   8.895   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       3.802   8.125   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.468   8.895   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.134   8.125   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.199   8.895   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.468  10.435   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       1.134  11.205   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       3.802  11.205   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.802  12.745   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.136  10.435   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       6.469  11.205   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       7.803   5.815   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.803   4.275   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       9.137   3.505   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.470   4.275   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.470   5.815   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      11.804   3.505   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.138   4.275   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      14.471   3.505   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.471   1.965   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      13.138   1.195   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.804   1.965   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.469   3.505   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.469   1.965   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       7.803   1.195   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.137   1.965   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       7.803  -0.345   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       9.049  -1.250   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       8.573  -2.715   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       7.033  -2.715   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0       6.557  -1.250   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0       5.136   4.275   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       3.802   3.505   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   38                                                  
CONECT    5    4    6   18                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   12                                                  
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    9   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14    7   17                                                  
CONECT   17   16                                                            
CONECT   18    5   19                                                       
CONECT   19   18   20   29                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   23                                                       
CONECT   29   19   30   38                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   37                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   33                                                       
CONECT   38   29    4   39                                                  
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Value	Source
(1R,2S,3E,4S,6R)-6-(Benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-2-carboxylic acid	Generator

Chemical Formula

C₂₆H₂₈N₂O₁₁

Average Mass

544.5130 Da

Monoisotopic Mass

544.16931 Da

IUPAC Name

(1R,2S,3E,4S,6R)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-2-carboxylate

Traditional Name

(1R,2S,3E,4S,6R)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1H-pyrrole-2-carboxylate

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](O[C@H]2C[C@@H](OC(=O)C3=CC=CC=C3)[C@H](OC(=O)C3=CC=CN3)[C@@H](O)\C2=C/C#N)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C26H28N2O11/c27-9-8-14-16(37-26-22(33)21(32)20(31)18(12-29)38-26)11-17(36-24(34)13-5-2-1-3-6-13)23(19(14)30)39-25(35)15-7-4-10-28-15/h1-8,10,16-23,26,28-33H,11-12H2/b14-8-/t16-,17+,18+,19-,20-,21-,22+,23-,26+/m0/s1

InChI Key

CPYMRMLEZYENLQ-GFLIQAPASA-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
Campylospermum glaucum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Benzoate ester
Benzoic acid or derivatives
Pyrrole-2-carboxylic acid or derivatives
Benzoyl
Benzenoid
Substituted pyrrole
Oxane
Monosaccharide
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Cyclitol or derivatives
Heteroaromatic compound
Pyrrole
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Nitrile
Carbonitrile
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organonitrogen compound
Alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	-0.21	ChemAxon
pKa (Strongest Acidic)	12.05	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	211.79 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	130.63 m³·mol⁻¹	ChemAxon
Polarizability	52.61 Å³	ChemAxon
Number of Rings	4	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

162885937

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate (NP0256652)

MOL for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

3D MOL for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

3D SDF for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

3D-SDF for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

PDB for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

3D PDB for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

SMILES for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

INCHI for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

Structure for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)

3D Structure for NP0256652 ((1r,2s,3e,4s,6r)-6-(benzoyloxy)-3-(cyanomethylidene)-2-hydroxy-4-{[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl 1h-pyrrole-2-carboxylate)