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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:33:46 UTC

Update Date

2022-03-07 02:52:22 UTC

HMDB ID

HMDB0029954

Secondary Accession Numbers

HMDB29954

Metabolite Identification

Common Name

D-glycero-L-galacto-Octulose

Description

D-glycero-L-galacto-Octulose belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. D-glycero-L-galacto-Octulose has been detected, but not quantified in, a few different foods, such as avocados (Persea americana), fruits, and pulses. This could make D-glycero-L-galacto-octulose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on D-glycero-L-galacto-Octulose.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0029954
     RDKit          3D
D-glycero-L-galacto-Octulose
 32 32  0  0  0  0  0  0  0  0999 V2000
    3.0145    0.5298    1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -0.4538    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659   -0.0519   -0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -1.1603   -1.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154    0.2074   -0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962   -0.9081   -0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.8043   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5891   -1.1585    1.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039   -1.9523   -0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -1.9191   -0.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7686    0.4869   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0227    0.6269    0.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765    1.7105   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180    2.4025    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629    1.3629    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898    0.9727    1.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618    0.1038    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -1.3839    0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0431   -0.7435    0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.7689   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784   -0.8646   -2.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    0.3436   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -1.4745    1.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3512   -2.8812   -0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -1.9394   -1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531   -2.7475   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857    0.5234   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139    0.5414    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    2.4345   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316    3.3807    0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005    2.2327    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    1.8145    2.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  5  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  0
M  END


  Mrv0541 05061307412D          

 16 16  0  0  0  0            999 V2000
   -0.2682   -5.1681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827   -4.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9827   -3.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2682   -3.5181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972   -2.6931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972   -3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4116   -3.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4116   -4.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1635   -0.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8813   -1.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4116   -2.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9419   -1.6486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8406   -3.9306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -3.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -2.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8406   -2.2806    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
  3  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  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
 11 15  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
M  END
> <DATABASE_ID>
HMDB0029954

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(O)C1OC(O)(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C8H16O8/c9-1-3(11)6-4(12)5(13)7(14)8(15,2-10)16-6/h3-7,9-15H,1-2H2

> <INCHI_KEY>
HYWDXGGHANXDIV-UHFFFAOYSA-N

> <FORMULA>
C8H16O8

> <MOLECULAR_WEIGHT>
240.2078

> <EXACT_MASS>
240.084517488

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
21.670672002693806

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

> <ALOGPS_LOGP>
-2.72

> <JCHEM_LOGP>
-4.018669202

> <ALOGPS_LOGS>
0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.495437380708786

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.282961654504613

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974513492162097

> <JCHEM_POLAR_SURFACE_AREA>
150.84

> <JCHEM_REFRACTIVITY>
48.285799999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.23e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029954
     RDKit          3D
D-glycero-L-galacto-Octulose
 32 32  0  0  0  0  0  0  0  0999 V2000
    3.0145    0.5298    1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -0.4538    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659   -0.0519   -0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -1.1603   -1.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154    0.2074   -0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962   -0.9081   -0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.8043   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5891   -1.1585    1.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039   -1.9523   -0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -1.9191   -0.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7686    0.4869   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0227    0.6269    0.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765    1.7105   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180    2.4025    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629    1.3629    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898    0.9727    1.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618    0.1038    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -1.3839    0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0431   -0.7435    0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.7689   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784   -0.8646   -2.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    0.3436   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -1.4745    1.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3512   -2.8812   -0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -1.9394   -1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531   -2.7475   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857    0.5234   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139    0.5414    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    2.4345   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316    3.3807    0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005    2.2327    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    1.8145    2.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  5  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  O   UNK     0      -0.501  -9.647   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -1.834  -8.877   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.834  -7.337   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.501  -6.567   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -3.168  -5.027   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -3.168  -6.567   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.502  -7.337   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -4.502  -8.877   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -4.039  -1.630   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -3.512  -3.077   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.502  -4.257   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.492  -3.077   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -7.169  -7.337   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -5.835  -6.567   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.835  -5.027   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -7.169  -4.257   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    6                                                  
CONECT    4    3                                                            
CONECT    5    6   11                                                       
CONECT    6    3    5    7                                                  
CONECT    7    6    8   14                                                  
CONECT    8    7                                                            
CONECT    9   10                                                            
CONECT   10    9   11                                                       
CONECT   11    5   10   12   15                                             
CONECT   12   11                                                            
CONECT   13   14                                                            
CONECT   14    7   13   15                                                  
CONECT   15   11   14   16                                                  
CONECT   16   15                                                            
MASTER        0    0    0    0    0    0    0    0   16    0   32    0
END

COMPND    HMDB0029954
HETATM    1  O1  UNL     1       3.014   0.530   1.419  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.970  -0.454   0.468  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.266  -0.052  -0.785  1.00  0.00           C  
HETATM    4  O2  UNL     1       2.336  -1.160  -1.668  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.815   0.207  -0.582  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.196  -0.908  -0.027  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.183  -0.804  -0.010  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.589  -1.159   1.282  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.704  -1.952  -0.890  1.00  0.00           C  
HETATM   10  O5  UNL     1      -3.081  -1.919  -0.925  1.00  0.00           O  
HETATM   11  C6  UNL     1      -1.769   0.487  -0.426  1.00  0.00           C  
HETATM   12  O6  UNL     1      -3.023   0.627   0.216  1.00  0.00           O  
HETATM   13  C7  UNL     1      -0.976   1.710  -0.089  1.00  0.00           C  
HETATM   14  O7  UNL     1      -1.518   2.403   0.991  1.00  0.00           O  
HETATM   15  C8  UNL     1       0.463   1.363   0.300  1.00  0.00           C  
HETATM   16  O8  UNL     1       0.490   0.973   1.643  1.00  0.00           O  
HETATM   17  H1  UNL     1       3.062   0.104   2.326  1.00  0.00           H  
HETATM   18  H2  UNL     1       2.539  -1.384   0.921  1.00  0.00           H  
HETATM   19  H3  UNL     1       4.043  -0.744   0.262  1.00  0.00           H  
HETATM   20  H4  UNL     1       2.771   0.769  -1.329  1.00  0.00           H  
HETATM   21  H5  UNL     1       2.078  -0.865  -2.585  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.288   0.344  -1.571  1.00  0.00           H  
HETATM   23  H7  UNL     1      -0.866  -1.474   1.842  1.00  0.00           H  
HETATM   24  H8  UNL     1      -1.351  -2.881  -0.377  1.00  0.00           H  
HETATM   25  H9  UNL     1      -1.228  -1.939  -1.882  1.00  0.00           H  
HETATM   26  H10 UNL     1      -3.453  -2.748  -0.498  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.986   0.523  -1.518  1.00  0.00           H  
HETATM   28  H12 UNL     1      -2.814   0.541   1.192  1.00  0.00           H  
HETATM   29  H13 UNL     1      -0.897   2.435  -0.924  1.00  0.00           H  
HETATM   30  H14 UNL     1      -1.432   3.381   0.904  1.00  0.00           H  
HETATM   31  H15 UNL     1       1.100   2.233   0.149  1.00  0.00           H  
HETATM   32  H16 UNL     1       0.437   1.814   2.169  1.00  0.00           H  
CONECT    1    2   17
CONECT    2    3   18   19
CONECT    3    4    5   20
CONECT    4   21
CONECT    5    6   15   22
CONECT    6    7
CONECT    7    8    9   11
CONECT    8   23
CONECT    9   10   24   25
CONECT   10   26
CONECT   11   12   13   27
CONECT   12   28
CONECT   13   14   15   29
CONECT   14   30
CONECT   15   16   31
CONECT   16   32
END

HMDB0029954
     RDKit          3D
D-glycero-L-galacto-Octulose
 32 32  0  0  0  0  0  0  0  0999 V2000
    3.0145    0.5298    1.4187 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704   -0.4538    0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659   -0.0519   -0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3355   -1.1603   -1.6678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154    0.2074   -0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962   -0.9081   -0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1831   -0.8043   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5891   -1.1585    1.2820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7039   -1.9523   -0.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0807   -1.9191   -0.9247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7686    0.4869   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0227    0.6269    0.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9765    1.7105   -0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5180    2.4025    0.9913 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629    1.3629    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4898    0.9727    1.6431 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0618    0.1038    2.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -1.3839    0.9214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0431   -0.7435    0.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    0.7689   -1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0784   -0.8646   -2.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2878    0.3436   -1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8657   -1.4745    1.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3512   -2.8812   -0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2276   -1.9394   -1.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531   -2.7475   -0.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9857    0.5234   -1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139    0.5414    1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8973    2.4345   -0.9235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4316    3.3807    0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005    2.2327    0.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368    1.8145    2.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15  5  1  0
  1 17  1  0
  2 18  1  0
  2 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  8 23  1  0
  9 24  1  0
  9 25  1  0
 10 26  1  0
 11 27  1  0
 12 28  1  0
 13 29  1  0
 14 30  1  0
 15 31  1  0
 16 32  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₈H₁₆O₈

Average Molecular Weight

240.2078

Monoisotopic Molecular Weight

240.084517488

IUPAC Name

6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

Traditional Name

6-(1,2-dihydroxyethyl)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol

CAS Registry Number

Not Available

SMILES

OCC(O)C1OC(O)(CO)C(O)C(O)C1O

InChI Identifier

InChI=1S/C8H16O8/c9-1-3(11)6-4(12)5(13)7(14)8(15,2-10)16-6/h3-7,9-15H,1-2H2

InChI Key

HYWDXGGHANXDIV-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
C-glycosyl compound
Oxane
Monosaccharide
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Fruits (FooDB: FOOD00871)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular 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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	823 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-4	ChemAxon
logS	0.53	ALOGPS
pKa (Strongest Acidic)	10.28	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	150.84 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	48.29 m³·mol⁻¹	ChemAxon
Polarizability	21.67 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	153.671	31661259
DarkChem	[M-H]-	147.877	31661259
DeepCCS	[M+H]+	149.86	30932474
DeepCCS	[M-H]-	147.502	30932474
DeepCCS	[M-2H]-	181.616	30932474
DeepCCS	[M+Na]+	156.348	30932474
AllCCS	[M+H]+	154.1	32859911
AllCCS	[M+H-H2O]+	150.3	32859911
AllCCS	[M+NH4]+	157.6	32859911
AllCCS	[M+Na]+	158.6	32859911
AllCCS	[M-H]-	145.9	32859911
AllCCS	[M+Na-2H]-	146.1	32859911
AllCCS	[M+HCOO]-	146.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-glycero-L-galacto-Octulose	OCC(O)C1OC(O)(CO)C(O)C(O)C1O	4315.7	Standard polar	33892256
D-glycero-L-galacto-Octulose	OCC(O)C1OC(O)(CO)C(O)C(O)C1O	2385.4	Standard non polar	33892256
D-glycero-L-galacto-Octulose	OCC(O)C1OC(O)(CO)C(O)C(O)C1O	2138.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-glycero-L-galacto-Octulose,1TMS,isomer #1	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O)C1O	2397.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TMS,isomer #2	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O)C1O	2383.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TMS,isomer #3	C[Si](C)(C)OC1(CO)OC(C(O)CO)C(O)C(O)C1O	2367.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TMS,isomer #4	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O)C1O	2322.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(O)C(C(O)CO)OC1(O)CO	2343.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(C(O)CO)OC(O)(CO)C1O	2350.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(O)C(O)(CO)OC1C(O)CO	2355.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O)C(O)C1O	2373.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #10	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O[Si](C)(C)C)C1O	2323.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #11	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O)C1O[Si](C)(C)C	2319.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #12	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O)C(O)C1O	2317.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #13	C[Si](C)(C)OC1C(O)C(O)C(CO)(O[Si](C)(C)C)OC1C(O)CO	2305.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #14	C[Si](C)(C)OC1C(O)C(C(O)CO)OC(CO)(O[Si](C)(C)C)C1O	2291.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #15	C[Si](C)(C)OC1C(O)C(O)C(C(O)CO)OC1(CO)O[Si](C)(C)C	2307.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #16	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1O	2279.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #17	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1O	2279.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #18	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O)C1O[Si](C)(C)C	2294.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #19	C[Si](C)(C)OC1C(O)C(C(O)CO)OC(O)(CO)C1O[Si](C)(C)C	2280.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #2	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O)C(O)C1O	2368.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #20	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(O)(CO)OC1C(O)CO	2253.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #21	C[Si](C)(C)OC1C(C(O)CO)OC(O)(CO)C(O)C1O[Si](C)(C)C	2289.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #3	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O)C(O)C1O	2349.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #4	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C)C(O)C1O	2342.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #5	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O[Si](C)(C)C)C1O	2341.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #6	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O)C1O[Si](C)(C)C	2343.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #7	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O)C(O)C1O	2348.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #8	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O)C(O)C1O	2325.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TMS,isomer #9	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C)C(O)C1O	2329.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O)C(O)C1O	2344.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #10	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2308.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #11	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2296.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #12	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2306.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #13	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2310.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #14	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2297.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #15	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2318.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #16	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O)C(O)C1O	2302.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #17	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2318.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #18	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2324.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #19	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2331.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O)C(O)C1O	2292.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #20	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2278.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #21	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2282.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #22	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2290.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #23	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2284.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #24	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2282.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #25	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2289.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #26	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1O	2296.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #27	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1O	2265.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #28	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O)C(O)C1O[Si](C)(C)C	2284.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #29	C[Si](C)(C)OC1C(C(O)CO)OC(CO)(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2300.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C)C(O)C1O	2298.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #30	C[Si](C)(C)OC1C(O)C(O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)OC1C(O)CO	2275.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #31	C[Si](C)(C)OC1C(O)C(C(O)CO)OC(CO)(O[Si](C)(C)C)C1O[Si](C)(C)C	2291.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #32	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2268.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #33	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2264.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #34	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2253.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #35	C[Si](C)(C)OC1C(C(O)CO)OC(O)(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2281.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O)C(O[Si](C)(C)C)C1O	2279.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O)C(O)C1O[Si](C)(C)C	2306.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #6	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O)C1O	2330.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #7	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2338.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #8	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2333.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TMS,isomer #9	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2359.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O)C1O	2218.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2197.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #11	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2235.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #12	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2245.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #13	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2257.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #14	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2260.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #15	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2255.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #16	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2271.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #17	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2225.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #18	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2231.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #19	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2205.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2240.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #20	C[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2223.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #21	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2262.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #22	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2252.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #23	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2246.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #24	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2260.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #25	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2253.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #26	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2272.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #27	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2222.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #28	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2245.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #29	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2230.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2256.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #30	C[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2237.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #31	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2234.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #32	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2224.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #33	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2235.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #34	C[Si](C)(C)OC1C(C(O)CO)OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2258.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #35	C[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2208.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2260.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2205.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2204.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2184.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2199.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2194.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2195.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #10	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2162.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #11	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2212.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #12	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2211.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #13	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2206.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #14	C[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2225.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #15	C[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2173.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #16	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2203.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #17	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2221.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #18	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2223.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #19	C[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2238.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2200.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #20	C[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2189.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #21	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2232.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2203.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2215.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2208.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2201.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #7	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2179.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #8	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2189.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TMS,isomer #9	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2158.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2255.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,6TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2240.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,6TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2222.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,6TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2228.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,6TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2203.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,6TMS,isomer #6	C[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2248.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,6TMS,isomer #7	C[Si](C)(C)OCC1(O[Si](C)(C)C)OC(C(CO)O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2234.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,7TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2301.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O)C1O	2639.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O)C1O	2626.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1(CO)OC(C(O)CO)C(O)C(O)C1O	2613.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O)C1O	2573.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(C(O)CO)OC1(O)CO	2577.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(C(O)CO)OC(O)(CO)C1O	2600.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)(CO)OC1C(O)CO	2601.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O)C(O)C1O	2828.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2777.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2770.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O)C(O)C1O	2781.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(CO)(O[Si](C)(C)C(C)(C)C)OC1C(O)CO	2771.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)C(C(O)CO)OC(CO)(O[Si](C)(C)C(C)(C)C)C1O	2759.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(C(O)CO)OC1(CO)O[Si](C)(C)C(C)(C)C	2762.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2752.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2742.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2762.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(O)C(C(O)CO)OC(O)(CO)C1O[Si](C)(C)C(C)(C)C	2761.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2808.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)(CO)OC1C(O)CO	2743.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(C(O)CO)OC(O)(CO)C(O)C1O[Si](C)(C)C(C)(C)C	2764.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2806.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2804.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2796.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2807.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2797.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2789.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2794.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2952.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2945.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2933.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2933.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2934.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2939.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2909.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2931.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2950.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2971.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2951.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2915.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2901.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2929.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2934.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2929.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2931.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2898.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2905.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2908.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2912.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1C(C(O)CO)OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2930.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2934.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(O)C(O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)OC1C(O)CO	2918.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(O)C(C(O)CO)OC(CO)(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2935.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2873.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2906.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2903.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(C(O)CO)OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2888.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2916.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2905.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2937.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2951.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2974.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2972.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3092.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3073.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3122.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3137.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3134.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3155.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3150.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3160.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3125.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3136.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3101.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3129.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3104.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3119.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3140.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3123.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3154.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3144.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3154.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3095.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3133.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3126.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3154.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3098.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3104.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3103.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3114.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(C(O)CO)OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3112.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3078.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3144.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3088.7	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3104.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3063.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3102.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3107.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3253.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3271.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3294.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3296.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3287.6	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(O)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3300.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3279.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3289.1	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3290.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3298.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(CO)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3301.4	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3282.5	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1(O)OC(C(CO)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3286.3	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1(O[Si](C)(C)C(C)(C)C)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3268.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3264.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3300.8	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3304.9	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(CO)(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3305.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3268.0	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3285.2	Semi standard non polar	33892256
D-glycero-L-galacto-Octulose,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3253.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-glycero-L-galacto-Octulose GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ab9-9550000000-929e80f142911726dd7f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-glycero-L-galacto-Octulose GC-MS (6 TMS) - 70eV, Positive	splash10-0a4i-3201049000-086612b410b2dee58657	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-glycero-L-galacto-Octulose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 10V, Positive-QTOF	splash10-006x-1190000000-601ec5b3ce76007be3e5	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 20V, Positive-QTOF	splash10-074l-6390000000-4e5a03e15cf1cc2a86d1	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 40V, Positive-QTOF	splash10-0c00-9200000000-ee4b2c1ea13d6dab1eb4	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 10V, Negative-QTOF	splash10-0uki-6940000000-2a1147b1f4c5692e03aa	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 20V, Negative-QTOF	splash10-00di-9720000000-e52ddde23caf207d265c	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 40V, Negative-QTOF	splash10-0596-9200000000-1465f04108b027f9521d	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 10V, Positive-QTOF	splash10-0006-0090000000-388c7edf49dabe5ca053	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 20V, Positive-QTOF	splash10-0006-2290000000-57972937bd7c23177345	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 40V, Positive-QTOF	splash10-0006-9000000000-3702428770694eb59d70	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 10V, Negative-QTOF	splash10-000i-1290000000-2407e2b183ec83af6756	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 20V, Negative-QTOF	splash10-052r-7490000000-ef47c20fb5f21f46474d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-glycero-L-galacto-Octulose 40V, Negative-QTOF	splash10-0a4i-9000000000-db139125ece485f5b9aa	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB012594

KNApSAcK ID

Not Available

Chemspider ID

13306962

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

18618152

PDB ID

Not Available

ChEBI ID

174239

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for D-glycero-L-galacto-Octulose (HMDB0029954)

MOL for HMDB0029954 (D-glycero-L-galacto-Octulose)

3D MOL for HMDB0029954 (D-glycero-L-galacto-Octulose)

3D SDF for HMDB0029954 (D-glycero-L-galacto-Octulose)

3D-SDF for HMDB0029954 (D-glycero-L-galacto-Octulose)

PDB for HMDB0029954 (D-glycero-L-galacto-Octulose)

3D PDB for HMDB0029954 (D-glycero-L-galacto-Octulose)

SMILES for HMDB0029954 (D-glycero-L-galacto-Octulose)

INCHI for HMDB0029954 (D-glycero-L-galacto-Octulose)

Structure for HMDB0029954 (D-glycero-L-galacto-Octulose)

3D Structure for HMDB0029954 (D-glycero-L-galacto-Octulose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra