NP-MRD: Showing NP-Card for 3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid (NP0286468)

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Record Information

Version

2.0

Created at

2022-09-09 15:03:40 UTC

Updated at

2022-09-09 15:03:40 UTC

NP-MRD ID

NP0286468

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid

Description

6-({2-Carboxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. 3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid is found in Sterculia urens. 6-({2-Carboxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004231522222D          

 35 36  0  0  0  0            999 V2000
   -5.4138   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638   -2.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9388   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7013   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888   -5.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638   -6.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -5.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9388   -2.1730    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  0  0  0  0
 12 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
  8 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END


  Mrv1533004231522222D          

 35 36  0  0  0  0            999 V2000
   -5.4138   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4138   -3.6020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638   -2.1730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7638   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1763   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9388   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7013   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888   -5.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -4.3164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112   -2.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0112   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237   -4.3164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -1.4586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1862   -0.7441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -1.4586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888   -3.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7013   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513   -5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4638   -6.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7737   -5.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5263   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9388   -2.1730    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  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
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 13 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 10 29  1  0  0  0  0
 29 30  1  0  0  0  0
 12 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
  8 34  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0286468

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)C(O)C(O)C(OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H28O17/c1-3(20)5(21)6(22)4(2-19)32-17-11(27)9(25)12(14(35-17)16(30)31)33-18-10(26)7(23)8(24)13(34-18)15(28)29/h2-14,17-18,20-27H,1H3,(H,28,29)(H,30,31)

> <INCHI_KEY>
ASGKEGKXMJZSOY-UHFFFAOYSA-N

> <FORMULA>
C18H28O17

> <MOLECULAR_WEIGHT>
516.405

> <EXACT_MASS>
516.132649442

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
45.759448542855125

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-1.30

> <JCHEM_LOGP>
-5.422572811666667

> <ALOGPS_LOGS>
-0.88

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.4349428390923293

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.7899935225256014

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6933821945584837

> <JCHEM_POLAR_SURFACE_AREA>
290.42999999999995

> <JCHEM_REFRACTIVITY>
100.36329999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-15         0                                  
HETATM    1  C   UNK     0     -10.106  -4.056   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0     -10.106  -6.724   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -7.796  -5.390   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -7.026  -4.056   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -7.026  -6.724   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -7.796  -8.057   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -5.486  -6.724   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -4.716  -8.057   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -3.176  -8.057   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.406  -9.391   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -0.866  -9.391   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.096  -8.057   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.444  -8.057   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.214  -6.724   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       1.444  -5.390   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.214  -4.056   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.754  -4.056   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.524  -2.723   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       4.524  -5.390   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.064  -5.390   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       3.754  -6.724   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       4.524  -8.057   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       1.444  -2.723   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.214  -1.389   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -0.096  -2.723   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -0.866  -6.724   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.096  -5.390   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -2.406  -6.724   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -3.176  -5.390   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -0.096 -10.725   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.866 -12.058   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       1.444 -10.725   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -4.716  -5.390   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      -5.486  -4.056   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   34                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   29                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   31                                                  
CONECT   13   12   14   27                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   22                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   24                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   15   23                                                  
CONECT   23   22                                                            
CONECT   24   17   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24                                                            
CONECT   27   13   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   10   30                                                  
CONECT   30   29                                                            
CONECT   31   12   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31                                                            
CONECT   34    8   35                                                       
CONECT   35   34                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

View in JSmol

Synonyms

Value	Source
6-({2-carboxy-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylate	Generator

Chemical Formula

C₁₈H₂₈O₁₇

Average Mass

516.4050 Da

Monoisotopic Mass

516.13265 Da

IUPAC Name

3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid

Traditional Name

3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(O)C(O)C(O)C(OC1OC(C(OC2OC(C(O)C(O)C2O)C(O)=O)C(O)C1O)C(O)=O)C=O

InChI Identifier

InChI=1S/C18H28O17/c1-3(20)5(21)6(22)4(2-19)32-17-11(27)9(25)12(14(35-17)16(30)31)33-18-10(26)7(23)8(24)13(34-18)15(28)29/h2-14,17-18,20-27H,1H3,(H,28,29)(H,30,31)

InChI Key

ASGKEGKXMJZSOY-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sterculia urens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
O-glucuronide
1-o-glucuronide
Glucuronic acid or derivatives
Alkyl glycoside
Disaccharide
O-glycosyl compound
Glycosyl compound
Beta-hydroxy acid
Beta-hydroxy aldehyde
Dicarboxylic acid or derivatives
Pyran
Oxane
Hydroxy acid
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Polyol
Carbonyl group
Hydrocarbon derivative
Alcohol
Aldehyde
Organic oxygen compound
Organic oxide
Organooxygen compound
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	-1.3	ALOGPS
logP	-5.4	ChemAxon
logS	-0.88	ALOGPS
pKa (Strongest Acidic)	2.79	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	290.43 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	100.36 m³·mol⁻¹	ChemAxon
Polarizability	45.76 Å³	ChemAxon
Number of Rings	2	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

LOTUS database [Link]

Showing NP-Card for 3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid (NP0286468)

MOL for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

3D MOL for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

3D SDF for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

3D-SDF for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

PDB for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

3D PDB for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

SMILES for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

INCHI for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

Structure for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)

3D Structure for NP0286468 (3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4,5-dihydroxy-6-[(3,4,5-trihydroxy-1-oxohexan-2-yl)oxy]oxane-2-carboxylic acid)