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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 02:42:53 UTC

Update Date

2022-03-07 03:17:55 UTC

HMDB ID

HMDB0062502

Secondary Accession Numbers

HMDB62502

Metabolite Identification

Common Name

NeuNGc

Description

Neu5Gc, also known as NGNA or gcneu, belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent. Neu5Gc is an extremely weak basic (essentially neutral) compound (based on its pKa). Neu5Gc exists in all living organisms, ranging from bacteria to humans. From here, Neu5Gc are available for activation and addition to glycoconjugates. Neu5Gc is rapidly absorbed in the intestinal tract, some of which is converted to acylmannosamines by intestinal cells and bacteria, and reconverted back to Neu5Gc in the body. Neu5Gc is closely related to the commonly known N-acetylneuraminic acid (Neu5Ac).

Structure

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

HMDB0062502
     RDKit          3D
NeuNGc
 41 41  0  0  0  0  0  0  0  0999 V2000
   -2.3410   -1.8284    1.9785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -1.8111    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -2.8719    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -2.7535   -1.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -0.8507   -0.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1248    0.1743    0.3931 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6759    1.5510    0.1083 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1366    2.1752    1.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128    2.4571   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040    2.3364   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376    2.6018   -1.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    3.3879    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973    3.4138    2.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    4.3937    0.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    1.0858    0.3811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709    0.0805   -0.1943 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7881   -1.2891    0.0367 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8604   -1.5915    1.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467   -1.6696   -0.6677 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1647   -3.0769   -0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066   -1.0991   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4212    0.2736   -0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0403   -3.8652    0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4729   -2.8343    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5764   -2.7707   -1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.8714   -1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162    0.0431    1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    1.4299   -0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    1.7532    2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672    2.3222   -1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0337    3.5108   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    3.3085   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376    4.3359   -0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    0.3020   -1.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0018   -1.9861   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0597   -2.5564    1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0117   -1.5291   -1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -3.2356    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4926   -1.4513    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639   -1.5244   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3477    0.5292   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16  6  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  6
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
 14 33  1  0
 16 34  1  6
 17 35  1  6
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
M  END

 
  Mrv1533006041518552D          
 
 22 22  0  0  1  0            999 V2000
   14.7600   -9.3379    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.7600  -10.1623    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4780   -8.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0454   -8.9256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4780  -10.5781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0454  -10.5781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1925   -9.3379    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.0454   -8.1012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3309   -9.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1925  -10.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4814  -11.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0489  -11.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7731   -8.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9861   -9.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3309   -7.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7634   -7.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3378  -11.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7600  -11.8113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5735   -8.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5532   -7.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3309   -6.8577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6232  -11.4059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  4  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
  7 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062502

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11?/m0/s1

> <INCHI_KEY>
FDJKUWYYUZCUJX-PGIATKPXSA-N

> <FORMULA>
C11H19NO10

> <MOLECULAR_WEIGHT>
325.27

> <EXACT_MASS>
325.100895816

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
29.248612194731272

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S,5R,6R)-2,4-dihydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-4.381185565

> <ALOGPS_LOGS>
-0.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.078213729825416

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9169608253505808

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9741940631062587

> <JCHEM_POLAR_SURFACE_AREA>
197.00999999999996

> <JCHEM_REFRACTIVITY>
65.48360000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.54e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S,5R,6R)-2,4-dihydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0062502
     RDKit          3D
NeuNGc
 41 41  0  0  0  0  0  0  0  0999 V2000
   -2.3410   -1.8284    1.9785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -1.8111    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -2.8719    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -2.7535   -1.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -0.8507   -0.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1248    0.1743    0.3931 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6759    1.5510    0.1083 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1366    2.1752    1.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128    2.4571   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040    2.3364   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376    2.6018   -1.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    3.3879    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973    3.4138    2.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    4.3937    0.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    1.0858    0.3811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709    0.0805   -0.1943 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7881   -1.2891    0.0367 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8604   -1.5915    1.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467   -1.6696   -0.6677 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1647   -3.0769   -0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066   -1.0991   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4212    0.2736   -0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0403   -3.8652    0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4729   -2.8343    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5764   -2.7707   -1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.8714   -1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162    0.0431    1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    1.4299   -0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    1.7532    2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672    2.3222   -1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0337    3.5108   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    3.3085   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376    4.3359   -0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    0.3020   -1.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0018   -1.9861   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0597   -2.5564    1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0117   -1.5291   -1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -3.2356    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4926   -1.4513    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639   -1.5244   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3477    0.5292   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16  6  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  6
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
 14 33  1  0
 16 34  1  6
 17 35  1  6
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
M  END

HEADER    PROTEIN                                 04-JUN-15   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUN-15         0                                  
HETATM    1  C   UNK     0      27.552 -17.431   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      27.552 -18.970   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      28.892 -16.661   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      26.218 -16.661   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      28.892 -19.746   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      26.218 -19.746   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      30.226 -17.431   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      26.218 -15.122   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      24.884 -17.431   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      30.226 -18.970   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      28.899 -21.291   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      26.225 -21.285   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      31.310 -16.328   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      31.707 -17.828   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      24.884 -14.346   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      27.558 -14.346   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      24.897 -22.054   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      27.552 -22.048   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      32.804 -16.725   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      30.899 -14.840   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      24.884 -12.801   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      23.563 -21.291   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13   14   10                                             
CONECT    8    4   15   16                                                  
CONECT    9    4                                                            
CONECT   10    5    7                                                       
CONECT   11    5                                                            
CONECT   12    6   17   18                                                  
CONECT   13    7   19   20                                                  
CONECT   14    7                                                            
CONECT   15    8   21                                                       
CONECT   16    8                                                            
CONECT   17   12   22                                                       
CONECT   18   12                                                            
CONECT   19   13                                                            
CONECT   20   13                                                            
CONECT   21   15                                                            
CONECT   22   17                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

COMPND    HMDB0062502
HETATM    1  O1  UNL     1      -2.341  -1.828   1.978  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.565  -1.811   0.741  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.471  -2.872   0.210  1.00  0.00           C  
HETATM    4  O2  UNL     1      -3.644  -2.753  -1.161  1.00  0.00           O  
HETATM    5  N1  UNL     1      -1.999  -0.851  -0.112  1.00  0.00           N  
HETATM    6  C3  UNL     1      -1.125   0.174   0.393  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.676   1.551   0.108  1.00  0.00           C  
HETATM    8  O3  UNL     1      -2.137   2.175   1.268  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.713   2.457  -0.577  1.00  0.00           C  
HETATM   10  C6  UNL     1       0.704   2.336  -0.078  1.00  0.00           C  
HETATM   11  O4  UNL     1       1.538   2.602  -1.185  1.00  0.00           O  
HETATM   12  C7  UNL     1       0.999   3.388   0.932  1.00  0.00           C  
HETATM   13  O5  UNL     1       0.397   3.414   2.050  1.00  0.00           O  
HETATM   14  O6  UNL     1       1.936   4.394   0.723  1.00  0.00           O  
HETATM   15  O7  UNL     1       1.023   1.086   0.381  1.00  0.00           O  
HETATM   16  C8  UNL     1       0.271   0.081  -0.194  1.00  0.00           C  
HETATM   17  C9  UNL     1       0.788  -1.289   0.037  1.00  0.00           C  
HETATM   18  O8  UNL     1       0.860  -1.592   1.395  1.00  0.00           O  
HETATM   19  C10 UNL     1       2.047  -1.670  -0.668  1.00  0.00           C  
HETATM   20  O9  UNL     1       2.165  -3.077  -0.475  1.00  0.00           O  
HETATM   21  C11 UNL     1       3.307  -1.099  -0.102  1.00  0.00           C  
HETATM   22  O10 UNL     1       3.421   0.274  -0.193  1.00  0.00           O  
HETATM   23  H1  UNL     1      -3.040  -3.865   0.492  1.00  0.00           H  
HETATM   24  H2  UNL     1      -4.473  -2.834   0.670  1.00  0.00           H  
HETATM   25  H3  UNL     1      -4.576  -2.771  -1.434  1.00  0.00           H  
HETATM   26  H4  UNL     1      -2.209  -0.871  -1.126  1.00  0.00           H  
HETATM   27  H5  UNL     1      -1.016   0.043   1.483  1.00  0.00           H  
HETATM   28  H6  UNL     1      -2.562   1.430  -0.552  1.00  0.00           H  
HETATM   29  H7  UNL     1      -1.796   1.753   2.090  1.00  0.00           H  
HETATM   30  H8  UNL     1      -0.767   2.322  -1.668  1.00  0.00           H  
HETATM   31  H9  UNL     1      -1.034   3.511  -0.362  1.00  0.00           H  
HETATM   32  H10 UNL     1       1.082   3.309  -1.712  1.00  0.00           H  
HETATM   33  H11 UNL     1       2.638   4.336  -0.006  1.00  0.00           H  
HETATM   34  H12 UNL     1       0.240   0.302  -1.298  1.00  0.00           H  
HETATM   35  H13 UNL     1      -0.002  -1.986  -0.407  1.00  0.00           H  
HETATM   36  H14 UNL     1       1.060  -2.556   1.467  1.00  0.00           H  
HETATM   37  H15 UNL     1       2.012  -1.529  -1.747  1.00  0.00           H  
HETATM   38  H16 UNL     1       2.654  -3.236   0.375  1.00  0.00           H  
HETATM   39  H17 UNL     1       3.493  -1.451   0.943  1.00  0.00           H  
HETATM   40  H18 UNL     1       4.164  -1.524  -0.691  1.00  0.00           H  
HETATM   41  H19 UNL     1       4.348   0.529  -0.022  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    5
CONECT    3    4   23   24
CONECT    4   25
CONECT    5    6   26
CONECT    6    7   16   27
CONECT    7    8    9   28
CONECT    8   29
CONECT    9   10   30   31
CONECT   10   11   12   15
CONECT   11   32
CONECT   12   13   13   14
CONECT   14   33
CONECT   15   16
CONECT   16   17   34
CONECT   17   18   19   35
CONECT   18   36
CONECT   19   20   21   37
CONECT   20   38
CONECT   21   22   39   40
CONECT   22   41
END

HMDB0062502
     RDKit          3D
NeuNGc
 41 41  0  0  0  0  0  0  0  0999 V2000
   -2.3410   -1.8284    1.9785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5646   -1.8111    0.7413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -2.8719    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440   -2.7535   -1.1614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9992   -0.8507   -0.1116 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1248    0.1743    0.3931 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6759    1.5510    0.1083 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1366    2.1752    1.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7128    2.4571   -0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7040    2.3364   -0.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376    2.6018   -1.1851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9993    3.3879    0.9316 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3973    3.4138    2.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9358    4.3937    0.7230 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0234    1.0858    0.3811 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2709    0.0805   -0.1943 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7881   -1.2891    0.0367 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8604   -1.5915    1.3951 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0467   -1.6696   -0.6677 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1647   -3.0769   -0.4750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066   -1.0991   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4212    0.2736   -0.1934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0403   -3.8652    0.4923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4729   -2.8343    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5764   -2.7707   -1.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -0.8714   -1.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0162    0.0431    1.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5615    1.4299   -0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7964    1.7532    2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7672    2.3222   -1.6678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0337    3.5108   -0.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    3.3085   -1.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376    4.3359   -0.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    0.3020   -1.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0018   -1.9861   -0.4066 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0597   -2.5564    1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0117   -1.5291   -1.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6543   -3.2356    0.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4926   -1.4513    0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1639   -1.5244   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3477    0.5292   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 16  6  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  5 26  1  0
  6 27  1  1
  7 28  1  6
  8 29  1  0
  9 30  1  0
  9 31  1  0
 11 32  1  0
 14 33  1  0
 16 34  1  6
 17 35  1  6
 18 36  1  0
 19 37  1  6
 20 38  1  0
 21 39  1  0
 21 40  1  0
 22 41  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-Glycolylneuraminate	Kegg
N-Glycolylneuraminic acid	Generator
NGNA	MeSH
N-Glycoloylneuraminic acid	MeSH
N-Glycolylneuraminic acid, (alpha-D-gal)-isomer	MeSH
GcNeu	MeSH
Neu5GC	KEGG
N-Glycoloyl-neuraminic acid	Generator, HMDB

Chemical Formula

C₁₁H₁₉NO₁₀

Average Molecular Weight

325.27

Monoisotopic Molecular Weight

325.100895816

IUPAC Name

(4S,5R,6R)-2,4-dihydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Traditional Name

(4S,5R,6R)-2,4-dihydroxy-5-(2-hydroxyacetamido)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O

InChI Identifier

InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11?/m0/s1

InChI Key

FDJKUWYYUZCUJX-PGIATKPXSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acylneuraminic acids. These are neuraminic acids carrying an N-acyl substituent.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-acylneuraminic acids

Alternative Parents

Substituents

N-acylneuraminic acid
Neuraminic acid
C-glucuronide
C-glycosyl compound
Glycosyl compound
Alpha-hydroxy acid
Pyran
Hydroxy acid
Oxane
Carboxamide group
Hemiacetal
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Polyol
Alcohol
Hydrocarbon derivative
Organic nitrogen compound
Organopnictogen compound
Primary alcohol
Organic oxide
Carbonyl group
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Not Available

Not Available

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	254 g/l	ALOGPS
LogP	-2.98	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3	ALOGPS
logP	-4.4	ChemAxon
logS	-0.11	ALOGPS
pKa (Strongest Acidic)	2.92	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	197.01 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	65.48 m³·mol⁻¹	ChemAxon
Polarizability	29.25 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]+	175.354	31661259
DarkChem	[M-H]-	164.197	31661259
DeepCCS	[M+H]+	170.884	30932474
DeepCCS	[M-H]-	168.488	30932474
DeepCCS	[M-2H]-	202.367	30932474
DeepCCS	[M+Na]+	177.038	30932474
AllCCS	[M+H]+	171.2	32859911
AllCCS	[M+H-H2O]+	168.1	32859911
AllCCS	[M+NH4]+	174.0	32859911
AllCCS	[M+Na]+	174.8	32859911
AllCCS	[M-H]-	167.1	32859911
AllCCS	[M+Na-2H]-	166.7	32859911
AllCCS	[M+HCOO]-	166.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
NeuNGc	OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O	3839.6	Standard polar	33892256
NeuNGc	OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O	2596.5	Standard non polar	33892256
NeuNGc	OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)CO)C(O)=O	3011.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
NeuNGc,1TMS,isomer #1	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2699.9	Semi standard non polar	33892256
NeuNGc,1TMS,isomer #2	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2711.2	Semi standard non polar	33892256
NeuNGc,1TMS,isomer #3	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2679.0	Semi standard non polar	33892256
NeuNGc,1TMS,isomer #4	C[Si](C)(C)OC1(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2693.2	Semi standard non polar	33892256
NeuNGc,1TMS,isomer #5	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	2687.3	Semi standard non polar	33892256
NeuNGc,1TMS,isomer #6	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2751.4	Semi standard non polar	33892256
NeuNGc,1TMS,isomer #7	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2641.0	Semi standard non polar	33892256
NeuNGc,1TMS,isomer #8	C[Si](C)(C)N(C(=O)CO)[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2653.5	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2680.6	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #10	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2634.2	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #11	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2666.5	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #12	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2690.1	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #13	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2637.1	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #14	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2672.2	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #15	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2621.0	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #16	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	2655.2	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #17	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2668.2	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #18	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2638.4	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #19	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2635.4	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #2	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2668.0	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #20	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	2672.6	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #21	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2720.2	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #22	C[Si](C)(C)OC1(C(=O)O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2659.3	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #23	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2597.9	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #24	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2677.8	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #25	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2638.9	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #26	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2643.9	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #27	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2655.6	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #28	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2592.2	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #3	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2695.4	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #4	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2633.2	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #5	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2681.3	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #6	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2684.8	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #7	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2647.4	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #8	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2683.8	Semi standard non polar	33892256
NeuNGc,2TMS,isomer #9	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2696.1	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2631.0	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #10	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2650.2	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #11	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2634.2	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #12	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2576.8	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #13	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2609.4	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #14	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2659.2	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #15	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2640.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #16	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2566.4	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #17	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2611.4	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #18	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2597.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #19	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2611.3	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2645.4	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #20	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2615.1	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #21	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2623.3	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #22	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2661.5	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #23	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2639.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #24	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2616.3	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #25	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2658.2	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #26	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2634.1	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #27	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2607.0	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #28	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2636.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #29	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2691.3	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2593.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #30	C[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2648.2	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #31	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2591.9	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #32	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2648.4	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #33	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2597.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #34	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2646.1	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #35	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2628.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #36	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2628.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #37	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2566.8	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #38	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	2599.2	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #39	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2644.1	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2592.8	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #40	C[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2627.0	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #41	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2577.0	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #42	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2626.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #43	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2601.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #44	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2616.4	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #45	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2620.4	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #46	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2623.0	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #47	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2546.1	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #48	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2596.3	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #49	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2594.3	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #5	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2615.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #50	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2637.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #51	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2625.0	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #52	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2625.1	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #53	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2602.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #54	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2585.2	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #55	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2605.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #56	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2597.8	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2599.7	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #7	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2653.0	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #8	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2634.6	Semi standard non polar	33892256
NeuNGc,3TMS,isomer #9	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2617.3	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2653.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #10	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2596.8	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #11	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2633.9	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #12	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2616.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #13	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2604.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #14	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2619.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #15	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2632.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #16	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2623.3	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #17	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2643.3	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #18	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2695.3	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #19	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2666.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2638.4	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #20	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2625.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #21	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2670.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #22	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2641.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #23	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2632.8	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #24	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2644.4	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #25	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2665.3	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #26	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2569.4	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #27	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2624.2	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #28	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2624.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #29	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2626.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2590.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #30	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2637.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #31	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2666.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #32	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2614.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #33	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2610.3	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #34	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2642.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #35	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2631.2	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #36	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2626.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #37	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1NC(=O)CO	2650.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #38	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2699.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #39	C[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2670.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #4	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2618.2	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #40	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2626.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #41	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2674.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #42	C[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2639.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #43	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2637.3	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #44	C[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2648.4	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #45	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2662.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #46	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2601.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #47	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2661.9	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #48	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2627.2	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #49	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2665.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2635.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #50	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2660.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #51	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2680.8	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #52	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2645.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #53	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2610.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #54	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2643.9	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #55	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2655.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #56	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2585.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #57	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2634.9	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #58	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2610.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #59	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2649.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #6	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2604.6	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #60	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2634.9	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #61	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2658.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #62	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2640.1	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #63	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2612.4	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #64	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2639.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #65	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2638.2	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #66	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2585.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #67	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	2614.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #68	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2622.0	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #69	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2627.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2618.8	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #70	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2611.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #8	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2672.5	Semi standard non polar	33892256
NeuNGc,4TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2641.7	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	2643.5	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #10	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2658.9	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #11	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2620.4	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #12	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2661.8	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #13	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2637.6	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #14	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2655.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #15	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2657.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #16	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2697.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #17	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2621.3	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #18	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2623.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #19	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2656.4	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2646.4	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #20	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2651.3	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #21	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2634.7	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #22	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2673.4	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #23	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2641.9	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #24	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2677.7	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #25	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2672.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #26	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2711.6	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #27	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2649.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #28	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2635.8	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #29	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2671.4	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #3	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2681.9	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #30	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2664.9	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #31	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2612.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #32	C[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2643.6	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #33	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2670.6	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #34	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2674.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #35	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2652.6	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #36	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2643.4	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #37	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2674.5	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #38	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2648.1	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #39	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2678.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #4	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2679.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #40	C[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C	2680.5	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #41	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2715.1	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #42	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2649.5	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #43	C[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2645.7	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #44	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2673.9	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #45	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2674.5	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #46	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2648.3	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #47	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C)O1	2641.8	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #48	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2674.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #49	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2697.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2630.3	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #50	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2656.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #51	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2642.9	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #52	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@H](O)CO)O1	2642.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #53	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2660.0	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #54	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2688.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #55	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2662.8	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #56	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2660.4	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #6	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2664.2	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #7	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2646.6	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #8	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2606.8	Semi standard non polar	33892256
NeuNGc,5TMS,isomer #9	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2648.2	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #1	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1NC(=O)CO	2654.8	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #10	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2686.3	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #11	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2632.8	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #12	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2661.6	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #13	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2677.0	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #14	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2706.9	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #15	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2663.4	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #16	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2640.8	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #17	C[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2659.7	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #18	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2675.4	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #19	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2710.8	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #2	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #20	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2671.8	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #21	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2678.5	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #22	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2652.2	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #23	C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C)[C@H]([C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)O1	2675.4	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #24	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2687.8	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #25	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2729.5	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #26	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2689.9	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #27	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2692.6	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #28	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2682.5	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #3	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C	2666.2	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #4	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #5	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2699.6	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #6	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2716.3	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #7	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2630.3	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #8	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2661.5	Semi standard non polar	33892256
NeuNGc,6TMS,isomer #9	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2676.2	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #1	C[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2663.7	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #2	C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1OC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C	2702.9	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #3	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2715.8	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #4	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2753.8	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #5	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2714.6	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #6	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2712.0	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #7	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2712.0	Semi standard non polar	33892256
NeuNGc,7TMS,isomer #8	C[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C)CC(O[Si](C)(C)C)(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2728.8	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2951.3	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2952.3	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	2928.2	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2946.8	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	2918.5	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2971.9	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	2919.5	Semi standard non polar	33892256
NeuNGc,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C(=O)CO)[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	2917.6	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3109.8	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3123.0	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3110.7	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3144.1	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3114.1	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3097.5	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3106.2	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	3076.9	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3117.3	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3106.6	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	3106.9	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3106.5	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(=O)CO	3092.2	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3141.1	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1(C(=O)O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3110.7	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	3086.1	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3104.8	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3082.6	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3145.1	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3121.5	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3097.9	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3132.9	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3111.5	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3096.5	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3117.8	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3108.3	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3110.3	Semi standard non polar	33892256
NeuNGc,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3139.8	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3269.3	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3300.8	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3299.2	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3302.4	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3302.9	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3339.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3312.8	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3279.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3315.1	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3299.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3306.8	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3307.2	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3288.6	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3307.9	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3307.3	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3292.2	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3289.4	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3302.8	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3299.5	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3311.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3317.8	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3357.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3274.6	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@H](CO)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3324.2	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3298.4	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3347.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3311.1	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3335.1	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3301.8	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3320.2	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3279.9	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1NC(=O)CO	3284.2	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3304.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3271.3	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)O[C@H]([C@H](O)CO)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3303.9	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3275.0	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3308.5	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3294.3	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3285.9	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3292.4	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3316.0	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O1	3300.1	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3329.1	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3300.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3286.9	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3316.0	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3305.6	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3341.7	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3315.1	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3291.6	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3309.9	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3323.5	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3285.0	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3303.3	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3291.0	Semi standard non polar	33892256
NeuNGc,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3283.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1NC(=O)CO	3498.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3481.7	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3517.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3488.9	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3496.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3476.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3500.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3496.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3494.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3529.7	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3514.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3495.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3506.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3539.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3505.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3513.0	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3502.7	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3524.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3481.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3514.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3495.7	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3509.8	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3474.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3502.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3531.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3508.9	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3483.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3510.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3494.8	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3493.5	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1NC(=O)CO	3503.7	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3529.9	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)O[C@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3508.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3506.5	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3502.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3528.5	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3494.9	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3511.5	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@H]1CC(O)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3496.5	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3521.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3502.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3538.9	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3507.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3542.8	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3490.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3519.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3547.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3538.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3496.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3529.4	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3520.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3472.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3491.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3478.8	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3501.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3490.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3499.2	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3518.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3507.8	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3488.8	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3500.9	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3506.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3501.3	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@H](O)CO)O1	3502.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3511.0	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3519.6	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3490.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3499.1	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3531.5	Semi standard non polar	33892256
NeuNGc,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3501.2	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1NC(=O)CO	3673.3	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3718.1	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3667.2	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3710.3	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3685.5	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3714.3	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3699.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3733.9	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3711.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3670.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3705.0	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3678.6	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3694.4	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3673.9	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3710.8	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3692.8	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3714.3	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3708.8	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3741.9	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3723.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3693.6	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3722.8	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3723.4	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3718.9	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3685.8	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@@H](O)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3676.5	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3698.0	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3711.8	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3688.3	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)CO)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3676.1	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3708.2	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3686.0	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3718.9	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O[Si](C)(C)C(C)(C)C)(C(=O)O)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3708.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)O[C@H]1CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3709.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3738.1	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3720.1	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C1(O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3685.5	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3715.0	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3715.3	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3710.6	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)O1	3695.1	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3718.4	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3744.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1NC(=O)CO	3685.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3709.6	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3687.1	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)C1(O[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](N(C(=O)CO)[Si](C)(C)C(C)(C)C)[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)O1	3679.4	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3688.3	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3715.7	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3702.0	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OCC(=O)N([C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O[Si](C)(C)C(C)(C)C)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3686.9	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O)CC(O)(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3714.5	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3691.8	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(=O)N[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CC(O)(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3701.5	Semi standard non polar	33892256
NeuNGc,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(O)(C(=O)O)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1N(C(=O)CO)[Si](C)(C)C(C)(C)C	3688.6	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 - NeuNGc GC-MS (Non-derivatized) - 70eV, Positive	splash10-06r6-9273000000-5c6d51bda33a259f5d8f	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - NeuNGc GC-MS (5 TMS) - 70eV, Positive	splash10-00di-3312039000-3f2d2ae3b97aea62318d	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - NeuNGc 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 - NeuNGc 10V, Positive-QTOF	splash10-0a6r-0059000000-377e90bfda4ffa8facb4	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 20V, Positive-QTOF	splash10-03dl-7093000000-15010234d25f713c5b71	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 40V, Positive-QTOF	splash10-114i-9360000000-5a4ced086491066da419	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 10V, Negative-QTOF	splash10-06xx-4963000000-310a6dbf7e7376a9ec4a	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 20V, Negative-QTOF	splash10-000i-9210000000-f1b47230cbc1325c439d	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 40V, Negative-QTOF	splash10-0abi-9300000000-390de2a5f39f68f89b60	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 10V, Negative-QTOF	splash10-00di-0019000000-f054376685deeb8718e9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 20V, Negative-QTOF	splash10-0pi0-9182000000-2ac0fb29e70889e8c911	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 40V, Negative-QTOF	splash10-0006-9000000000-4318c8fac7ddac1f7f9f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 10V, Positive-QTOF	splash10-004i-0009000000-3ee984b0be99d490e78c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 20V, Positive-QTOF	splash10-0059-1296000000-07dc35c9a1e407f8d530	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - NeuNGc 40V, Positive-QTOF	splash10-0006-6910000000-dd1ffb002d3101aaae3f	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C03410

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

N-Glycolylneuraminic acid

METLIN ID

Not Available

PubChem Compound

440001

PDB ID

Not Available

ChEBI ID

Not Available

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

Not Available

Showing metabocard for NeuNGc (HMDB0062502)

MOL for HMDB0062502 (NeuNGc)

3D MOL for HMDB0062502 (NeuNGc)

3D SDF for HMDB0062502 (NeuNGc)

3D-SDF for HMDB0062502 (NeuNGc)

PDB for HMDB0062502 (NeuNGc)

3D PDB for HMDB0062502 (NeuNGc)

SMILES for HMDB0062502 (NeuNGc)

INCHI for HMDB0062502 (NeuNGc)

Structure for HMDB0062502 (NeuNGc)

3D Structure for HMDB0062502 (NeuNGc)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra