NP-MRD: Showing NP-Card for (2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol (NP0217620)

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Record Information

Version

2.0

Created at

2022-09-05 18:01:51 UTC

Updated at

2022-09-05 18:01:51 UTC

NP-MRD ID

NP0217620

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol

Description

VGTGGIWCIIFWQE-IGJSQQDXSA- 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. (2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol is found in Cerbera manghas. Based on a literature review very few articles have been published on VGTGGIWCIIFWQE-IGJSQQDXSA-.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052220012D          

 34 36  0  0  1  0            999 V2000
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -3.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787   -3.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918   -3.5541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6764   -3.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2895   -3.8512    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0742   -3.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872   -4.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180   -4.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7311   -5.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334   -4.9131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1619   -5.7201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7203   -4.3611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9357   -4.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -2.9599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0231   -2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -3.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -3.0021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0339   -3.5541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8186   -3.2992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4316   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2601   -4.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9901   -2.4922    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7747   -2.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770   -1.9402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5485   -1.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5924   -2.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9793   -1.6431    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  2  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
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  1  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  1  0  0  0
M  END


  Mrv1652309052220012D          

 34 36  0  0  1  0            999 V2000
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0964   -2.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4941   -3.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2787   -3.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8918   -3.5541    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6764   -3.2992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2895   -3.8512    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0742   -3.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6872   -4.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180   -4.6582    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7311   -5.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334   -4.9131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1619   -5.7201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7203   -4.3611    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9357   -4.6160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -3.7445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7615   -2.9599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0231   -2.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6362   -3.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4208   -3.0021    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0339   -3.5541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8186   -3.2992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4316   -3.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2601   -4.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9901   -2.4922    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7747   -2.2373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770   -1.9402    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5485   -1.1332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5924   -2.1951    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9793   -1.6431    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  2  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
  8  7  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  1  0  0  0
 15 17  1  0  0  0  0
  8 17  1  0  0  0  0
 17 18  1  1  0  0  0
  4 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  6  0  0  0
 22 23  1  0  0  0  0
 24 23  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  6  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  1  0  0  0
 29 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 24 33  1  0  0  0  0
 33 34  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0217620

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@H](OCCC2=C(CO)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC2)[C@H](O)[C@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H36O13/c22-5-11-9(3-4-31-20-18(29)16(27)14(25)12(6-23)33-20)1-2-10(11)8-32-21-19(30)17(28)15(26)13(7-24)34-21/h10,12-30H,1-8H2/t10-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-/m1/s1

> <INCHI_KEY>
VGTGGIWCIIFWQE-IGJSQQDXSA-N

> <FORMULA>
C21H36O13

> <MOLECULAR_WEIGHT>
496.506

> <EXACT_MASS>
496.215591219

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
50.33359741692616

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-{2-[(3S)-2-(hydroxymethyl)-3-({[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol

> <JCHEM_LOGP>
-4.538613978333333

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.431009708181687

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.909935669482087

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810834118765275

> <JCHEM_POLAR_SURFACE_AREA>
218.98999999999995

> <JCHEM_REFRACTIVITY>
112.2169

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-{2-[(3S)-2-(hydroxymethyl)-3-({[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.913  -5.525   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.378  -5.049   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.522  -6.080   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       7.987  -5.604   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       9.131  -6.634   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.596  -6.158   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      11.740  -7.189   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.205  -6.713   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      14.350  -7.743   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      11.420  -8.695   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.565  -9.726   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.956  -9.171   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       9.635 -10.677   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       8.811  -8.141   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       7.347  -8.617   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       3.437  -6.990   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.897  -6.990   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.421  -5.525   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.043  -5.049   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.188  -6.080   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -2.652  -5.604   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -3.797  -6.634   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -5.261  -6.158   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -6.406  -7.189   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -6.086  -8.695   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.581  -4.652   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -7.046  -4.176   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.437  -3.622   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -4.757  -2.115   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -2.972  -4.098   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -1.828  -3.067   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5   19                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   17                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    8   18                                                  
CONECT   18   17                                                            
CONECT   19    4   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20    3   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   33                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   29                                                  
CONECT   27   26   28                                                       
CONECT   28   27                                                            
CONECT   29   26   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   24   34                                                  
CONECT   34   33                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₃₆O₁₃

Average Mass

496.5060 Da

Monoisotopic Mass

496.21559 Da

IUPAC Name

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-{2-[(3S)-2-(hydroxymethyl)-3-({[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol

Traditional Name

(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-6-{2-[(3S)-2-(hydroxymethyl)-3-({[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](OCCC2=C(CO)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)CC2)[C@H](O)[C@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C21H36O13/c22-5-11-9(3-4-31-20-18(29)16(27)14(25)12(6-23)33-20)1-2-10(11)8-32-21-19(30)17(28)15(26)13(7-24)34-21/h10,12-30H,1-8H2/t10-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-/m1/s1

InChI Key

VGTGGIWCIIFWQE-IGJSQQDXSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cerbera manghas	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

O-glycosyl compound
Oxane
Monosaccharide
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-4.5	ChemAxon
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	218.99 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	112.22 m³·mol⁻¹	ChemAxon
Polarizability	50.33 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

10283143

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21672440

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol (NP0217620)

MOL for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

3D MOL for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

3D SDF for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

3D-SDF for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

PDB for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

3D PDB for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

SMILES for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

INCHI for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

Structure for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)

3D Structure for NP0217620 ((2r,3s,4r,5r,6r)-2-(hydroxymethyl)-6-{2-[(3s)-2-(hydroxymethyl)-3-({[(2r,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)cyclopent-1-en-1-yl]ethoxy}oxane-3,4,5-triol)