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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:33:13 UTC

Update Date

2022-03-07 02:52:19 UTC

HMDB ID

HMDB0029880

Secondary Accession Numbers

HMDB29880

Metabolite Identification

Common Name

Neotrehalose

Description

Neotrehalose belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Based on a literature review very few articles have been published on Neotrehalose.

Structure

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

HMDB0029880
     RDKit          3D
Neotrehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -4.1025    2.3120    1.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6178    2.4465    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9427    1.2012   -0.2574 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8673    0.8514    0.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110   -0.1130   -0.1687 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0705   -0.2648    0.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    0.0008   -0.2960 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9052    0.9807    0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301    1.0689    0.0700 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5489    1.7293   -1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012    3.0232   -1.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989   -0.2165    0.1891 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0777   -0.1219    1.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349   -1.2888    0.6446 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6438   -2.5265    0.7613 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -1.3162   -0.4159 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0992   -2.4115   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -1.4236   -0.0868 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7828   -2.1191   -1.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3304   -1.2258    0.2187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5847   -1.2216    1.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796    0.0376   -0.3975 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1477   -0.2289   -1.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    3.0024    2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4702    2.6790   -0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8537    3.2642    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5253    1.4297   -1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9873    0.1879   -1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8426    0.2739   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    1.7691    0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6609    1.8775   -1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837    1.1595   -2.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    3.3702   -0.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522   -0.5205   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3786   -1.0599    1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.9416    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -2.9063    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -1.3992   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -2.8815    0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4638   -2.0783    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591   -3.0906   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9031   -2.0728   -0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4953   -1.5905    1.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8263    0.2798    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    0.0746   -2.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  6
  7 29  1  6
  9 30  1  1
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  1
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END


  Mrv1652305241918172D          

 24 25  0  0  0  0            999 V2000
 9998.7820 9997.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.210610000.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.926410000.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.2106 9996.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6423 9997.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.6423 9999.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7820 9998.5918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9997.354910000.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.640410000.6544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3549 9996.9415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9237 9997.7667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9995.9237 9999.4166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3536 9999.4163    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.6392 9999.0039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9996.6392 9998.1789    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.3536 9997.7665    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.0680 9998.1789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.0680 9999.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.2120 9999.4163    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.4975 9999.0039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4975 9998.1789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.2120 9997.7665    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.9264 9998.1789    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10000.9264 9999.0039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  8  9  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 19 24  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 18  1  0  0  0  0
 17 18  1  0  0  0  0
  1 21  1  0  0  0  0
 21  7  1  1  0  0  0
 19  2  1  6  0  0  0
 24  6  1  1  0  0  0
 23  5  1  6  0  0  0
 22  4  1  1  0  0  0
 17  1  1  6  0  0  0
 13  8  1  1  0  0  0
 14 12  1  6  0  0  0
 15 11  1  1  0  0  0
 16 10  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0029880

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1

> <INCHI_KEY>
HDTRYLNUVZCQOY-BTLHAWITSA-N

> <FORMULA>
C12H22O11

> <MOLECULAR_WEIGHT>
342.297

> <EXACT_MASS>
342.116211528

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
30.808367767490637

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.98

> <JCHEM_LOGP>
-4.703374863666666

> <ALOGPS_LOGS>
0.24

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.427499300678097

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.9058964768732

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981084769765199

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
68.33670000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.92e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α,β-trehalose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029880
     RDKit          3D
Neotrehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -4.1025    2.3120    1.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6178    2.4465    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9427    1.2012   -0.2574 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8673    0.8514    0.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110   -0.1130   -0.1687 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0705   -0.2648    0.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    0.0008   -0.2960 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9052    0.9807    0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301    1.0689    0.0700 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5489    1.7293   -1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012    3.0232   -1.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989   -0.2165    0.1891 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0777   -0.1219    1.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349   -1.2888    0.6446 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6438   -2.5265    0.7613 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -1.3162   -0.4159 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0992   -2.4115   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -1.4236   -0.0868 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7828   -2.1191   -1.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3304   -1.2258    0.2187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5847   -1.2216    1.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796    0.0376   -0.3975 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1477   -0.2289   -1.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    3.0024    2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4702    2.6790   -0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8537    3.2642    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5253    1.4297   -1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9873    0.1879   -1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8426    0.2739   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    1.7691    0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6609    1.8775   -1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837    1.1595   -2.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    3.3702   -0.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522   -0.5205   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3786   -1.0599    1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.9416    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -2.9063    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -1.3992   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -2.8815    0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4638   -2.0783    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591   -3.0906   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9031   -2.0728   -0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4953   -1.5905    1.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8263    0.2798    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    0.0746   -2.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  6
  7 29  1  6
  9 30  1  1
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  1
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

HEADER    PROTEIN                                 24-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-MAY-19         0                                  
HETATM    1  O   UNK     0    8664.3938662.498   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0    8667.0608667.118   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8668.3968667.888   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8667.0608660.958   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8669.7328662.498   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8669.7328665.578   0.000  0.00  0.00           O+0
HETATM    7  H   UNK     0    8664.3938664.038   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0    8661.7298667.118   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    8660.3958667.888   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8661.7298660.958   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8659.0588662.498   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8659.0588665.578   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0    8661.7278665.577   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8660.3938664.807   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8660.3938663.267   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8661.7278662.498   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8663.0608663.267   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    8663.0608664.807   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0    8667.0628665.577   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0    8665.7298664.807   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0    8665.7298663.267   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8667.0628662.498   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8668.3968663.267   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8668.3968664.807   0.000  0.00  0.00           C+0
CONECT    1   21   17                                                       
CONECT    2    3   19                                                       
CONECT    3    2                                                            
CONECT    4   22                                                            
CONECT    5   23                                                            
CONECT    6   24                                                            
CONECT    7   21                                                            
CONECT    8    9   13                                                       
CONECT    9    8                                                            
CONECT   10   16                                                            
CONECT   11   15                                                            
CONECT   12   14                                                            
CONECT   13   14   18    8                                                  
CONECT   14   13   15   12                                                  
CONECT   15   14   16   11                                                  
CONECT   16   15   17   10                                                  
CONECT   17   16   18    1                                                  
CONECT   18   13   17                                                       
CONECT   19   24   20    2                                                  
CONECT   20   19   21                                                       
CONECT   21   22   20    1    7                                             
CONECT   22   21   23    4                                                  
CONECT   23   22   24    5                                                  
CONECT   24   19   23    6                                                  
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0029880
HETATM    1  O1  UNL     1      -4.102   2.312   1.520  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.618   2.447   0.238  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.943   1.201  -0.257  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.867   0.851   0.538  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.111  -0.113  -0.169  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.071  -0.265   0.515  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.199   0.001  -0.296  1.00  0.00           C  
HETATM    8  O4  UNL     1       1.905   0.981   0.333  1.00  0.00           O  
HETATM    9  C5  UNL     1       3.230   1.069   0.070  1.00  0.00           C  
HETATM   10  C6  UNL     1       3.549   1.729  -1.271  1.00  0.00           C  
HETATM   11  O5  UNL     1       3.001   3.023  -1.200  1.00  0.00           O  
HETATM   12  C7  UNL     1       3.999  -0.216   0.189  1.00  0.00           C  
HETATM   13  O6  UNL     1       5.078  -0.122   1.072  1.00  0.00           O  
HETATM   14  C8  UNL     1       3.035  -1.289   0.645  1.00  0.00           C  
HETATM   15  O7  UNL     1       3.644  -2.527   0.761  1.00  0.00           O  
HETATM   16  C9  UNL     1       1.928  -1.316  -0.416  1.00  0.00           C  
HETATM   17  O8  UNL     1       1.099  -2.412  -0.208  1.00  0.00           O  
HETATM   18  C10 UNL     1      -1.866  -1.424  -0.087  1.00  0.00           C  
HETATM   19  O9  UNL     1      -1.783  -2.119  -1.312  1.00  0.00           O  
HETATM   20  C11 UNL     1      -3.330  -1.226   0.219  1.00  0.00           C  
HETATM   21  O10 UNL     1      -3.585  -1.222   1.596  1.00  0.00           O  
HETATM   22  C12 UNL     1      -3.880   0.038  -0.397  1.00  0.00           C  
HETATM   23  O11 UNL     1      -4.148  -0.229  -1.744  1.00  0.00           O  
HETATM   24  H1  UNL     1      -3.689   3.002   2.127  1.00  0.00           H  
HETATM   25  H2  UNL     1      -4.470   2.679  -0.439  1.00  0.00           H  
HETATM   26  H3  UNL     1      -2.854   3.264   0.205  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.525   1.430  -1.273  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.987   0.188  -1.227  1.00  0.00           H  
HETATM   29  H6  UNL     1       0.843   0.274  -1.313  1.00  0.00           H  
HETATM   30  H7  UNL     1       3.677   1.769   0.837  1.00  0.00           H  
HETATM   31  H8  UNL     1       4.661   1.878  -1.270  1.00  0.00           H  
HETATM   32  H9  UNL     1       3.184   1.160  -2.123  1.00  0.00           H  
HETATM   33  H10 UNL     1       3.075   3.370  -0.277  1.00  0.00           H  
HETATM   34  H11 UNL     1       4.352  -0.521  -0.822  1.00  0.00           H  
HETATM   35  H12 UNL     1       5.379  -1.060   1.235  1.00  0.00           H  
HETATM   36  H13 UNL     1       2.560  -0.942   1.574  1.00  0.00           H  
HETATM   37  H14 UNL     1       3.363  -2.906   1.638  1.00  0.00           H  
HETATM   38  H15 UNL     1       2.445  -1.399  -1.389  1.00  0.00           H  
HETATM   39  H16 UNL     1       1.261  -2.882   0.628  1.00  0.00           H  
HETATM   40  H17 UNL     1      -1.464  -2.078   0.731  1.00  0.00           H  
HETATM   41  H18 UNL     1      -1.759  -3.091  -1.093  1.00  0.00           H  
HETATM   42  H19 UNL     1      -3.903  -2.073  -0.215  1.00  0.00           H  
HETATM   43  H20 UNL     1      -4.495  -1.590   1.778  1.00  0.00           H  
HETATM   44  H21 UNL     1      -4.826   0.280   0.119  1.00  0.00           H  
HETATM   45  H22 UNL     1      -3.332   0.075  -2.239  1.00  0.00           H  
CONECT    1    2   24
CONECT    2    3   25   26
CONECT    3    4   22   27
CONECT    4    5
CONECT    5    6   18   28
CONECT    6    7
CONECT    7    8   16   29
CONECT    8    9
CONECT    9   10   12   30
CONECT   10   11   31   32
CONECT   11   33
CONECT   12   13   14   34
CONECT   13   35
CONECT   14   15   16   36
CONECT   15   37
CONECT   16   17   38
CONECT   17   39
CONECT   18   19   20   40
CONECT   19   41
CONECT   20   21   22   42
CONECT   21   43
CONECT   22   23   44
CONECT   23   45
END

HMDB0029880
     RDKit          3D
Neotrehalose
 45 46  0  0  0  0  0  0  0  0999 V2000
   -4.1025    2.3120    1.5202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6178    2.4465    0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9427    1.2012   -0.2574 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8673    0.8514    0.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1110   -0.1130   -0.1687 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0705   -0.2648    0.5153 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994    0.0008   -0.2960 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9052    0.9807    0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2301    1.0689    0.0700 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5489    1.7293   -1.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012    3.0232   -1.2005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989   -0.2165    0.1891 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0777   -0.1219    1.0721 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349   -1.2888    0.6446 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6438   -2.5265    0.7613 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278   -1.3162   -0.4159 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0992   -2.4115   -0.2081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8661   -1.4236   -0.0868 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7828   -2.1191   -1.3118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3304   -1.2258    0.2187 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5847   -1.2216    1.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796    0.0376   -0.3975 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1477   -0.2289   -1.7439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6888    3.0024    2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4702    2.6790   -0.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8537    3.2642    0.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5253    1.4297   -1.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9873    0.1879   -1.2274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8426    0.2739   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6771    1.7691    0.8373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6609    1.8775   -1.2697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837    1.1595   -2.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0753    3.3702   -0.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522   -0.5205   -0.8224 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3786   -1.0599    1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.9416    1.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635   -2.9063    1.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452   -1.3992   -1.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2611   -2.8815    0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4638   -2.0783    0.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7591   -3.0906   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9031   -2.0728   -0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4953   -1.5905    1.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8263    0.2798    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3320    0.0746   -2.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
  5 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22  3  1  0
 16  7  1  0
  1 24  1  0
  2 25  1  0
  2 26  1  0
  3 27  1  6
  5 28  1  6
  7 29  1  6
  9 30  1  1
 10 31  1  0
 10 32  1  0
 11 33  1  0
 12 34  1  6
 13 35  1  0
 14 36  1  1
 15 37  1  0
 16 38  1  6
 17 39  1  0
 18 40  1  1
 19 41  1  0
 20 42  1  6
 21 43  1  0
 22 44  1  1
 23 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
alpha-D-GLCP-(11)-beta-D-GLCP	ChEBI
alpha-D-Glucopyranosyl beta-D-glucopyranoside	ChEBI
a-D-GLCP-(11)-b-D-GLCP	Generator
a-D-Glucopyranosyl b-D-glucopyranoside	Generator
(GLC)2	HMDB
Neotrehalose	HMDB
alpha,beta-Trehalose	HMDB
beta-D-Glucopyranosyl alpha-D-glucopyranoside	HMDB
α,β-Trehalose	HMDB
β-D-Glucopyranosyl α-D-glucopyranoside	HMDB

Chemical Formula

C₁₂H₂₂O₁₁

Average Molecular Weight

342.297

Monoisotopic Molecular Weight

342.116211528

IUPAC Name

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

Traditional Name

α,β-trehalose

CAS Registry Number

585-91-1

SMILES

[H][C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12+/m1/s1

InChI Key

HDTRYLNUVZCQOY-BTLHAWITSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

beta-D-glucoside (CHEBI:39244 )
alpha-D-glucoside (CHEBI:39244 )
trehalose (CHEBI:39244 )

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	149 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	1000000 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	592 g/L	ALOGPS
logP	-3	ALOGPS
logP	-4.7	ChemAxon
logS	0.24	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	68.34 m³·mol⁻¹	ChemAxon
Polarizability	30.81 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	172.44	30932474
DeepCCS	[M-H]-	170.268	30932474
DeepCCS	[M-2H]-	203.853	30932474
DeepCCS	[M+Na]+	178.353	30932474
AllCCS	[M+H]+	178.1	32859911
AllCCS	[M+H-H2O]+	175.2	32859911
AllCCS	[M+NH4]+	180.9	32859911
AllCCS	[M+Na]+	181.6	32859911
AllCCS	[M-H]-	174.4	32859911
AllCCS	[M+Na-2H]-	173.9	32859911
AllCCS	[M+HCOO]-	173.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Neotrehalose	[H][C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3879.1	Standard polar	33892256
Neotrehalose	[H][C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3232.7	Standard non polar	33892256
Neotrehalose	[H][C@@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	2989.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Neotrehalose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2783.2	Semi standard non polar	33892256
Neotrehalose,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2781.4	Semi standard non polar	33892256
Neotrehalose,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	2784.2	Semi standard non polar	33892256
Neotrehalose,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	2793.5	Semi standard non polar	33892256
Neotrehalose,1TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2783.2	Semi standard non polar	33892256
Neotrehalose,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2781.4	Semi standard non polar	33892256
Neotrehalose,1TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	2784.2	Semi standard non polar	33892256
Neotrehalose,1TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	2793.5	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2798.6	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	2778.8	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2786.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	2777.8	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2784.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2774.3	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	2778.8	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	2774.1	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O	2780.1	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2786.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2786.9	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2782.3	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2786.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #21	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2780.1	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	2783.3	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2783.1	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2780.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2794.6	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #26	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	2777.8	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2784.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	2786.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2774.3	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2786.9	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2783.1	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2780.0	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2794.6	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2782.3	Semi standard non polar	33892256
Neotrehalose,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	2786.0	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2665.8	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2680.6	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2691.1	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2667.9	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2679.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2676.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2686.4	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2672.1	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2680.9	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2694.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2677.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2654.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2702.9	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2673.8	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2668.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2683.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2685.4	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2680.6	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2691.1	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	2727.4	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #28	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	2726.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	2726.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2659.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	2727.4	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	2722.8	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	2715.3	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #33	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2708.4	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #34	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2706.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #35	C[Si](C)(C)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	2716.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C	2706.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2667.9	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2679.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2676.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2659.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2686.4	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O	2715.3	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2708.4	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #43	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2722.8	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #44	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	2712.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #45	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2712.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #46	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2704.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #47	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2672.1	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #48	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2680.9	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #49	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2694.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2654.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #50	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2706.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #51	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2716.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #52	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2704.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2677.5	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2702.9	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #55	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2673.8	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #56	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	2706.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2665.8	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2668.7	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2683.2	Semi standard non polar	33892256
Neotrehalose,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2685.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2618.0	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2586.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2606.0	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2609.2	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2606.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2624.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2618.0	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2624.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2624.8	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2651.8	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2632.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2624.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2604.5	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2636.0	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2622.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2623.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2636.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2635.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2604.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2637.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2618.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2648.5	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2609.2	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2650.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2656.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2611.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2626.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2628.5	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2645.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2624.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2624.8	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2651.8	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2632.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2610.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2604.5	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2636.0	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2622.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2623.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2636.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2635.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2653.6	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #47	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2673.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	2695.2	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H]1CO	2673.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2613.6	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #50	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2648.0	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #51	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	2653.6	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #52	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	2680.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #53	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2655.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #54	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2679.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2638.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #56	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2604.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #57	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2637.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #58	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2618.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #59	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2648.5	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2606.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #60	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2650.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #61	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2656.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #62	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H]1O	2679.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #63	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	2680.7	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #64	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2655.1	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #65	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2668.9	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #66	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2611.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #67	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2626.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #68	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2628.5	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #69	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	2638.4	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2606.0	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #70	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2645.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2628.3	Semi standard non polar	33892256
Neotrehalose,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2610.9	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2628.9	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2623.4	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2600.0	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2629.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2611.4	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2629.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2641.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2642.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2600.0	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2610.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2616.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2616.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	2628.9	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2639.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2662.7	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2663.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2671.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #27	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2632.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2641.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2646.0	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2642.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2653.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #31	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2641.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2655.1	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #34	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.4	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2638.7	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #36	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2639.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #37	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2662.7	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2663.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2623.4	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2671.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #42	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2632.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2641.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2646.0	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #45	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2653.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #46	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2662.7	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #47	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C	2690.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C	2690.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #49	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H]1CO	2662.7	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2610.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #50	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O	2672.1	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #51	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2641.8	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #52	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2655.1	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2656.2	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #54	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2672.4	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #55	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	2672.1	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #56	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2638.7	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2641.6	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2618.4	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2611.4	Semi standard non polar	33892256
Neotrehalose,5TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2618.4	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2630.4	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2645.1	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2627.5	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2633.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2646.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2645.3	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	2630.4	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2653.3	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2659.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2676.8	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2675.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	2645.3	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2649.8	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2655.9	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2653.3	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2659.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2676.8	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2675.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2649.8	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C	2675.3	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2655.9	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	2645.1	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2646.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2646.3	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2659.3	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2633.7	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2637.6	Semi standard non polar	33892256
Neotrehalose,6TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2646.3	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2668.8	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2672.1	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2685.5	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2685.5	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	2672.1	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	2668.8	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2679.6	Semi standard non polar	33892256
Neotrehalose,7TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2679.6	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3020.2	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3023.3	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	3024.3	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3034.1	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3020.2	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3023.3	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	3024.3	Semi standard non polar	33892256
Neotrehalose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3034.1	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3201.7	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	3243.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3261.8	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	3238.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3241.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3222.9	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H]1O	3243.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	3243.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3256.0	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3253.7	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3238.4	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3227.0	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3261.8	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	3256.0	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O	3272.8	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3240.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3231.5	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3239.1	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1CO	3238.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3241.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	3253.7	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3222.9	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3238.4	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3240.6	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3231.5	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3239.1	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3227.0	Semi standard non polar	33892256
Neotrehalose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	3250.4	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3371.1	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3394.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3398.4	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3395.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3407.6	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3399.4	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3399.8	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3418.8	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3406.1	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3410.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3404.7	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3367.7	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3398.3	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3399.7	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3379.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3376.1	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3406.4	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3394.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3398.4	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3410.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	3410.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@@H]1CO	3410.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3373.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O	3410.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O	3427.6	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	3409.2	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3407.6	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3418.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	3417.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3416.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3395.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3407.6	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3399.4	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3373.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3399.8	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O	3409.2	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3407.6	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3427.6	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	3424.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	3424.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3434.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3418.8	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3406.1	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3410.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3367.7	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3418.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3417.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	3434.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3404.7	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3398.3	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3399.7	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	3416.9	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3371.1	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3379.5	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3376.1	Semi standard non polar	33892256
Neotrehalose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3406.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3529.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3542.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3542.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3537.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3534.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3526.0	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3529.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3536.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3548.2	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3551.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3546.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3526.0	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3544.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3547.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3542.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3560.6	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3553.0	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3555.7	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3559.8	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3562.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3569.8	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3537.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3561.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3564.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3563.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3558.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3562.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3536.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3548.2	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3551.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3546.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3534.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3544.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3547.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3542.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3560.6	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3553.0	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3555.7	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3568.6	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3559.7	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3561.5	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@@H]1CO	3559.7	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3530.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3557.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	3568.6	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)O[C@H](CO)[C@H]1O	3574.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3572.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	3577.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3567.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3559.8	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3562.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3569.8	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3534.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3561.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3564.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	3577.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	3574.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3572.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O	3587.7	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3563.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3558.4	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3560.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	3567.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	3542.1	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3562.9	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3542.3	Semi standard non polar	33892256
Neotrehalose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3534.3	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 - Neotrehalose GC-MS (TMS_5_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_5_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_6_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_6_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_6_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_6_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_6_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_7_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_7_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_7_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TMS_7_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_3_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_3_47) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_20) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_32) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_33) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_53) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_56) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_64) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_65) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_66) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Neotrehalose GC-MS (TBDMS_4_67) - 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 - Neotrehalose 10V, Positive-QTOF	splash10-0006-0109000000-eb69fc914f7cd07067b9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Neotrehalose 20V, Positive-QTOF	splash10-0gwk-3912000000-0994cd3bef0942ab8eb9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Neotrehalose 40V, Positive-QTOF	splash10-06dj-9350000000-7722e48a9505a2e0dffd	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Neotrehalose 10V, Negative-QTOF	splash10-0006-0209000000-93a92304f6f3e5ab5cbc	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Neotrehalose 20V, Negative-QTOF	splash10-06to-9734000000-ad15599e0e0abb32f273	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Neotrehalose 40V, Negative-QTOF	splash10-0a4i-9000000000-767b422ee921b1a5e452	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FDB001115

KNApSAcK ID

Not Available

Chemspider ID

9046871

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10871590

PDB ID

Not Available

ChEBI ID

39244

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1811941

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Neotrehalose (HMDB0029880)

MOL for HMDB0029880 (Neotrehalose)

3D MOL for HMDB0029880 (Neotrehalose)

3D SDF for HMDB0029880 (Neotrehalose)

3D-SDF for HMDB0029880 (Neotrehalose)

PDB for HMDB0029880 (Neotrehalose)

3D PDB for HMDB0029880 (Neotrehalose)

SMILES for HMDB0029880 (Neotrehalose)

INCHI for HMDB0029880 (Neotrehalose)

Structure for HMDB0029880 (Neotrehalose)

3D Structure for HMDB0029880 (Neotrehalose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra