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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:30:10 UTC

Update Date

2021-09-26 22:57:13 UTC

HMDB ID

HMDB0247497

Secondary Accession Numbers

None

Metabolite Identification

Common Name

N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide

Description

N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review very few articles have been published on N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). N-[(2r,3r,4r,5r)-3,5,6-trihydroxy-1-oxo-4-[(2r,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1533004251504572D          

 26 26  0  0  0  0            999 V2000
    0.8889   -3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -4.9046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391   -3.9691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -4.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091   -5.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492   -5.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -4.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -3.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -5.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -5.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -6.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2096   -6.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497   -6.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5598   -6.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298   -5.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796   -7.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   -8.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -8.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -7.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -7.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395   -4.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796   -5.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2096   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   -3.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END

HMDB0247497
     RDKit          3D
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-...
 51 51  0  0  0  0  0  0  0  0999 V2000
   -3.8577    3.7559    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    2.6618    0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632    2.9455    1.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524    1.3221    0.3549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459    0.2261    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0894   -0.6039    1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2477   -0.2705    1.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205   -0.5969   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037   -1.2096   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992   -1.3995   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758   -0.7228    0.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2777   -0.3610   -0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356    1.0192   -0.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995    1.4062    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0956    2.8950    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    3.6263   -0.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    1.1003    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    2.1487   -0.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7176   -0.1082   -0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9510   -0.7117   -0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -1.0275   -0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.2315   -1.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -2.8262   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -3.1352    1.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781   -3.7253   -0.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215   -3.7107   -0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5301    4.7312    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    3.7732   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8829    3.5871    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1364    1.0901   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    0.6672    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322   -1.4800    2.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    0.2566   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803   -1.3653   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -1.4323   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9961   -0.6974   -1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    0.8596    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056    3.1130    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056    3.1479    1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1424    4.3260   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764    0.8344    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2362    2.2693   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    0.2269   -1.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -1.0006   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885   -1.1133    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512   -2.4216   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -3.1866   -0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -3.9738    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067   -3.4252   -1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3521   -4.8026   -0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3002   -4.4508   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 21 12  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 25 50  1  0
 26 51  1  0
M  END


  Mrv1533004251504572D          

 26 26  0  0  0  0            999 V2000
    0.8889   -3.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1589   -4.9046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2391   -3.9691    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7792   -4.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5091   -5.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0492   -5.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5893   -4.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -3.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -5.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8593   -5.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -6.4637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2096   -6.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7497   -6.9314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5598   -6.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298   -5.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796   -7.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   -8.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695   -7.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -8.6464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -7.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3193   -7.3991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9395   -4.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4796   -5.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2096   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0197   -3.9691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
 10 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247497

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C14H25NO11/c1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)

> <INCHI_KEY>
HESSGHHCXGBPAJ-UHFFFAOYSA-N

> <FORMULA>
C14H25NO11

> <MOLECULAR_WEIGHT>
383.35

> <EXACT_MASS>
383.142760629

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.66731034214395

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)acetamide

> <ALOGPS_LOGP>
-2.70

> <JCHEM_LOGP>
-5.627231402333333

> <ALOGPS_LOGS>
-0.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.350736981183676

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.81418349487351

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835652839085

> <JCHEM_POLAR_SURFACE_AREA>
206.23999999999998

> <JCHEM_REFRACTIVITY>
80.86019999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.52e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)acetamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0247497
     RDKit          3D
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-...
 51 51  0  0  0  0  0  0  0  0999 V2000
   -3.8577    3.7559    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    2.6618    0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632    2.9455    1.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524    1.3221    0.3549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459    0.2261    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0894   -0.6039    1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2477   -0.2705    1.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205   -0.5969   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037   -1.2096   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992   -1.3995   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758   -0.7228    0.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2777   -0.3610   -0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356    1.0192   -0.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995    1.4062    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0956    2.8950    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    3.6263   -0.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    1.1003    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    2.1487   -0.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7176   -0.1082   -0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9510   -0.7117   -0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -1.0275   -0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.2315   -1.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -2.8262   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -3.1352    1.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781   -3.7253   -0.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215   -3.7107   -0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5301    4.7312    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    3.7732   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8829    3.5871    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1364    1.0901   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    0.6672    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322   -1.4800    2.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    0.2566   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803   -1.3653   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -1.4323   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9961   -0.6974   -1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    0.8596    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056    3.1130    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056    3.1479    1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1424    4.3260   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764    0.8344    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2362    2.2693   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    0.2269   -1.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -1.0006   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885   -1.1133    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512   -2.4216   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -3.1866   -0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -3.9738    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067   -3.4252   -1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3521   -4.8026   -0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3002   -4.4508   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 21 12  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 25 50  1  0
 26 51  1  0
M  END

HEADER    PROTEIN                                 25-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-APR-15         0                                  
HETATM    1  C   UNK     0       1.659  -6.536   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.163  -9.155   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       4.180  -7.409   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       5.188  -8.573   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.684 -10.028   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.692 -11.192   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       6.700  -8.282   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       7.204  -6.827   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       7.708  -9.446   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       7.204 -10.901   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.212 -12.065   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       9.725 -11.774   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      10.733 -12.939   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.245 -12.648   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      12.749 -11.192   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      10.229 -14.394   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      11.237 -15.558   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.716 -14.685   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       8.212 -16.140   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       7.708 -13.521   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.196 -13.812   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       9.220  -9.155   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.229 -10.319   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       9.725  -7.700   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      11.237  -7.409   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    5    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   23                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   21                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   14   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   12   22                                                  
CONECT   22   21                                                            
CONECT   23   10   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   52    0
END

COMPND    HMDB0247497
HETATM    1  C1  UNL     1      -3.858   3.756   0.253  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.933   2.662   0.635  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.863   2.945   1.212  1.00  0.00           O  
HETATM    4  N1  UNL     1      -3.252   1.322   0.355  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.346   0.226   0.728  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.089  -0.604   1.704  1.00  0.00           C  
HETATM    7  O2  UNL     1      -4.248  -0.270   1.986  1.00  0.00           O  
HETATM    8  C5  UNL     1      -2.021  -0.597  -0.492  1.00  0.00           C  
HETATM    9  O3  UNL     1      -3.104  -1.210  -1.076  1.00  0.00           O  
HETATM   10  C6  UNL     1      -0.799  -1.400  -0.491  1.00  0.00           C  
HETATM   11  O4  UNL     1       0.276  -0.723   0.113  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.278  -0.361  -0.772  1.00  0.00           C  
HETATM   13  O5  UNL     1       1.436   1.019  -0.839  1.00  0.00           O  
HETATM   14  C8  UNL     1       2.199   1.406   0.247  1.00  0.00           C  
HETATM   15  C9  UNL     1       2.096   2.895   0.500  1.00  0.00           C  
HETATM   16  O6  UNL     1       2.531   3.626  -0.589  1.00  0.00           O  
HETATM   17  C10 UNL     1       3.684   1.100   0.012  1.00  0.00           C  
HETATM   18  O7  UNL     1       4.285   2.149  -0.673  1.00  0.00           O  
HETATM   19  C11 UNL     1       3.718  -0.108  -0.898  1.00  0.00           C  
HETATM   20  O8  UNL     1       4.951  -0.712  -0.814  1.00  0.00           O  
HETATM   21  C12 UNL     1       2.598  -1.027  -0.445  1.00  0.00           C  
HETATM   22  O9  UNL     1       2.767  -2.231  -1.099  1.00  0.00           O  
HETATM   23  C13 UNL     1      -0.813  -2.826  -0.099  1.00  0.00           C  
HETATM   24  O10 UNL     1      -0.907  -3.135   1.229  1.00  0.00           O  
HETATM   25  C14 UNL     1      -1.678  -3.725  -0.933  1.00  0.00           C  
HETATM   26  O11 UNL     1      -3.022  -3.711  -0.605  1.00  0.00           O  
HETATM   27  H1  UNL     1      -3.530   4.731   0.663  1.00  0.00           H  
HETATM   28  H2  UNL     1      -3.901   3.773  -0.872  1.00  0.00           H  
HETATM   29  H3  UNL     1      -4.883   3.587   0.681  1.00  0.00           H  
HETATM   30  H4  UNL     1      -4.136   1.090  -0.121  1.00  0.00           H  
HETATM   31  H5  UNL     1      -1.486   0.667   1.211  1.00  0.00           H  
HETATM   32  H6  UNL     1      -2.732  -1.480   2.208  1.00  0.00           H  
HETATM   33  H7  UNL     1      -1.794   0.257  -1.267  1.00  0.00           H  
HETATM   34  H8  UNL     1      -2.880  -1.365  -2.033  1.00  0.00           H  
HETATM   35  H9  UNL     1      -0.469  -1.432  -1.596  1.00  0.00           H  
HETATM   36  H10 UNL     1       0.996  -0.697  -1.784  1.00  0.00           H  
HETATM   37  H11 UNL     1       1.853   0.860   1.134  1.00  0.00           H  
HETATM   38  H12 UNL     1       1.006   3.113   0.618  1.00  0.00           H  
HETATM   39  H13 UNL     1       2.606   3.148   1.441  1.00  0.00           H  
HETATM   40  H14 UNL     1       3.142   4.326  -0.245  1.00  0.00           H  
HETATM   41  H15 UNL     1       4.176   0.834   0.950  1.00  0.00           H  
HETATM   42  H16 UNL     1       5.236   2.269  -0.450  1.00  0.00           H  
HETATM   43  H17 UNL     1       3.561   0.227  -1.941  1.00  0.00           H  
HETATM   44  H18 UNL     1       5.248  -1.001  -1.693  1.00  0.00           H  
HETATM   45  H19 UNL     1       2.688  -1.113   0.657  1.00  0.00           H  
HETATM   46  H20 UNL     1       3.751  -2.422  -1.092  1.00  0.00           H  
HETATM   47  H21 UNL     1       0.260  -3.187  -0.371  1.00  0.00           H  
HETATM   48  H22 UNL     1      -0.437  -3.974   1.449  1.00  0.00           H  
HETATM   49  H23 UNL     1      -1.507  -3.425  -1.997  1.00  0.00           H  
HETATM   50  H24 UNL     1      -1.352  -4.803  -0.849  1.00  0.00           H  
HETATM   51  H25 UNL     1      -3.300  -4.451  -0.024  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3    3    4
CONECT    4    5   30
CONECT    5    6    8   31
CONECT    6    7    7   32
CONECT    8    9   10   33
CONECT    9   34
CONECT   10   11   23   35
CONECT   11   12
CONECT   12   13   21   36
CONECT   13   14
CONECT   14   15   17   37
CONECT   15   16   38   39
CONECT   16   40
CONECT   17   18   19   41
CONECT   18   42
CONECT   19   20   21   43
CONECT   20   44
CONECT   21   22   45
CONECT   22   46
CONECT   23   24   25   47
CONECT   24   48
CONECT   25   26   49   50
CONECT   26   51
END

HMDB0247497
     RDKit          3D
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-...
 51 51  0  0  0  0  0  0  0  0999 V2000
   -3.8577    3.7559    0.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    2.6618    0.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632    2.9455    1.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524    1.3221    0.3549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3459    0.2261    0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0894   -0.6039    1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2477   -0.2705    1.9860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0205   -0.5969   -0.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1037   -1.2096   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7992   -1.3995   -0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758   -0.7228    0.1128 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2777   -0.3610   -0.7724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4356    1.0192   -0.8392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995    1.4062    0.2473 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0956    2.8950    0.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5308    3.6263   -0.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843    1.1003    0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2853    2.1487   -0.6728 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7176   -0.1082   -0.8977 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9510   -0.7117   -0.8144 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5984   -1.0275   -0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7667   -2.2315   -1.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8129   -2.8262   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074   -3.1352    1.2287 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6781   -3.7253   -0.9326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0215   -3.7107   -0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5301    4.7312    0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9015    3.7732   -0.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8829    3.5871    0.6814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1364    1.0901   -0.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4864    0.6672    1.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7322   -1.4800    2.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7943    0.2566   -1.2668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803   -1.3653   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4693   -1.4323   -1.5959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9961   -0.6974   -1.7843 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8533    0.8596    1.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0056    3.1130    0.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056    3.1479    1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1424    4.3260   -0.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1764    0.8344    0.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2362    2.2693   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5607    0.2269   -1.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2478   -1.0006   -1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6885   -1.1133    0.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512   -2.4216   -1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2598   -3.1866   -0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4371   -3.9738    1.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5067   -3.4252   -1.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3521   -4.8026   -0.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3002   -4.4508   -0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 21 12  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  4 30  1  0
  5 31  1  0
  6 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 12 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 19 43  1  0
 20 44  1  0
 21 45  1  0
 22 46  1  0
 23 47  1  0
 24 48  1  0
 25 49  1  0
 25 50  1  0
 26 51  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₄H₂₅NO₁₁

Average Molecular Weight

383.35

Monoisotopic Molecular Weight

383.142760629

IUPAC Name

N-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)acetamide

Traditional Name

N-(3,5,6-trihydroxy-1-oxo-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexan-2-yl)acetamide

CAS Registry Number

Not Available

SMILES

CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO

InChI Identifier

InChI=1S/C14H25NO11/c1-5(19)15-6(2-16)9(21)13(7(20)3-17)26-14-12(24)11(23)10(22)8(4-18)25-14/h2,6-14,17-18,20-24H,3-4H2,1H3,(H,15,19)

InChI Key

HESSGHHCXGBPAJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Alkyl glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Amino saccharide
Beta-hydroxy aldehyde
Monosaccharide
Oxane
Acetamide
Carboxamide group
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Polyol
Aldehyde
Hydrocarbon derivative
Organic oxide
Alcohol
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Primary alcohol
Organonitrogen compound
Organooxygen compound
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.7	ALOGPS
logP	-5.6	ChemAxon
logS	-0.4	ALOGPS
pKa (Strongest Acidic)	11.81	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.24 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	80.86 m³·mol⁻¹	ChemAxon
Polarizability	35.67 Å³	ChemAxon
Number of Rings	1	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]+	180.98	30932474
DeepCCS	[M-H]-	178.622	30932474
DeepCCS	[M-2H]-	212.728	30932474
DeepCCS	[M+Na]+	188.08	30932474
AllCCS	[M+H]+	184.7	32859911
AllCCS	[M+H-H2O]+	182.3	32859911
AllCCS	[M+NH4]+	186.9	32859911
AllCCS	[M+Na]+	187.6	32859911
AllCCS	[M-H]-	185.3	32859911
AllCCS	[M+Na-2H]-	185.2	32859911
AllCCS	[M+HCOO]-	185.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide	CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	3941.8	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide	CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	2986.9	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide	CC(=O)NC(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO	3217.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #125	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3175.5	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #125	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3117.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #125	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	4574.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #49	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3138.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #49	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3087.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #49	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	4280.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #54	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3119.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #54	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3128.1	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TMS,isomer #54	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4351.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #104	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3144.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #104	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3144.9	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #104	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	4278.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #124	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3148.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #124	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3102.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #124	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	4204.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #28	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3099.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #28	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3137.4	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #28	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3998.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #33	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3075.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #33	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3177.8	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #33	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4054.9	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #48	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3121.1	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #48	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3114.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #48	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3969.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #58	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3114.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #58	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3096.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #58	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3932.3	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #63	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3093.2	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #63	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3131.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #63	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4029.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #67	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3096.3	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #67	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3150.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #67	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4028.1	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #68	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3133.2	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #68	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3138.1	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #68	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	4246.6	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #70	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3106.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #70	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3181.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,5TMS,isomer #70	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4307.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #13	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3047.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #13	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3156.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #13	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3712.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #23	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3036.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #23	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3140.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #23	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3675.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #28	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3033.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #28	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3178.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #28	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3771.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #32	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3031.6	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #32	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3192.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #32	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3761.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #33	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3103.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #33	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3174.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #33	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	4007.8	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #35	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3080.5	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #35	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3205.7	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #35	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4061.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #38	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3053.3	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #38	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3107.1	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #38	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3596.5	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #47	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3051.5	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #47	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3164.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #47	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3743.6	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #48	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3112.2	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #48	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3146.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #48	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3981.5	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #52	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3038.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #52	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3148.1	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #52	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3704.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #53	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3099.1	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #53	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3127.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #53	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3945.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #55	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3088.4	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #55	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3161.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #55	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4030.9	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #56	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3089.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #56	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3180.7	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #56	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4033.5	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #75	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3120.6	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #75	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3143.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #75	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[Si](C)(C)C	3976.5	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #83	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3127.5	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #83	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3151.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,6TMS,isomer #83	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4043.9	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #12	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3006.4	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #12	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3208.7	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #12	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3521.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #13	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3099.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #13	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3191.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #13	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3761.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #17	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2998.1	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #17	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3190.4	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #17	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3491.5	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #18	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3088.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #18	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3167.7	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #18	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3728.3	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #20	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3086.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #20	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3204.7	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #20	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3811.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #21	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3082.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #21	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3219.9	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #21	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3805.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #23	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2992.6	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #23	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3161.1	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #23	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3421.6	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #24	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3073.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #24	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3137.8	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #24	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3659.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #27	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3082.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #27	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3191.1	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #27	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3790.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #28	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3072.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #28	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3175.4	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #28	CC(=O)N(C(=CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3754.9	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #3	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3001.3	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #3	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3158.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #3	CC(=O)N(C(C=O)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[Si](C)(C)C	3385.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #34	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3110.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #34	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3197.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #34	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3820.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #36	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3083.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #36	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3147.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,7TMS,isomer #36	CC(=O)N(C(=CO[Si](C)(C)C)C(O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3716.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,2TBDMS,isomer #33	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3737.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,2TBDMS,isomer #33	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3358.7	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,2TBDMS,isomer #33	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5036.9	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #25	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3879.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #25	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3625.7	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #25	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4610.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #4	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C	3770.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #4	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C	3610.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #4	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C	4571.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #40	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3765.2	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #40	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3559.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #40	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4614.6	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #46	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3867.5	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #46	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3618.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #46	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4676.6	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #71	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3893.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #71	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3544.4	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #71	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4614.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #77	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3884.0	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #77	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3568.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #77	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4633.9	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #83	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3893.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #83	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,3TBDMS,isomer #83	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4856.9	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #114	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4059.6	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #114	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3719.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #114	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4370.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #12	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3915.2	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #12	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3761.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #12	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4297.8	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #120	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4031.3	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #120	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3791.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #120	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4578.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #123	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4011.3	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #123	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3788.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #123	CC(=O)N(C(C=O)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4453.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #124	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4009.2	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #124	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3818.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #124	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4597.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #126	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3987.5	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #126	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3865.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #126	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4648.1	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #16	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3887.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #16	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3808.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #16	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4347.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #17	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C	3948.4	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #17	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C	3815.1	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #17	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C	4631.5	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #18	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3972.6	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #18	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3833.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #18	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4405.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #43	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4016.4	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #43	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3763.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #43	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4359.5	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #49	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4005.1	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #49	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3796.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #49	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4372.7	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #54	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3980.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #54	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3847.0	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #54	CC(=O)N(C(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4418.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #55	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3980.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #55	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3860.2	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #55	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4598.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #72	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3910.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #72	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3697.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #72	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4307.4	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #78	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4027.1	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #78	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3759.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #78	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4419.0	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #8	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C	3913.7	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #8	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C	3741.6	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #8	CC(=O)NC(C=O)C(O[Si](C)(C)C(C)(C)C)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(CO)O[Si](C)(C)C(C)(C)C	4292.3	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #82	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3869.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #82	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3762.3	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #82	CC(=O)NC(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4398.8	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #83	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3966.4	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #83	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	3773.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #83	CC(=O)NC(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C	4609.2	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #84	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4017.8	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #84	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3775.9	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #84	CC(=O)N(C(C=O)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4431.3	Standard polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #90	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3979.9	Semi standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #90	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3855.5	Standard non polar	33892256
N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide,4TBDMS,isomer #90	CC(=O)N(C(=CO[Si](C)(C)C(C)(C)C)C(O)C(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C(CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4627.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-03xr-9316000000-514f29613692706435a9	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-03	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 - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide 10V, Positive-QTOF	splash10-001i-0129000000-94456d35aba7fa29da93	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide 20V, Positive-QTOF	splash10-00e9-6902000000-f697198a1216b3cc23d1	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide 40V, Positive-QTOF	splash10-053u-9710000000-9cb6df3a5b03d0b10b97	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide 10V, Negative-QTOF	splash10-001i-0029000000-8d1cda2ae623d4833595	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide 20V, Negative-QTOF	splash10-0a4i-9326000000-a1029f8a5bcae64f40fd	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide 40V, Negative-QTOF	splash10-0a4l-9200000000-2359ed48cc77289858d1	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

3581716

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

4379662

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide (HMDB0247497)

MOL for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

3D MOL for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

3D SDF for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

3D-SDF for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

PDB for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

3D PDB for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

SMILES for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

INCHI for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

Structure for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

3D Structure for HMDB0247497 (N-[(2R,3R,4R,5R)-3,5,6-Trihydroxy-1-oxo-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-yl]acetamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra