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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:51:53 UTC

Update Date

2022-03-07 02:53:28 UTC

HMDB ID

HMDB0032799

Secondary Accession Numbers

HMDB32799

Metabolite Identification

Common Name

(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol

Description

(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 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 a small amount of articles have been published on (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol.

Structure

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


  Mrv0541 05061306422D          

 32 33  0  0  0  0            999 V2000
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29  7  1  0  0  0  0
 29 19  1  0  0  0  0
 30  9  1  0  0  0  0
 30 20  1  0  0  0  0
 31 11  1  0  0  0  0
 31 20  1  0  0  0  0
 32 12  1  0  0  0  0
 32 19  1  0  0  0  0
M  END

HMDB0032799
     RDKit          3D
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol
 70 71  0  0  0  0  0  0  0  0999 V2000
    7.3772   -0.8518    3.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3530    0.2761    2.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   -0.1882    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5780   -1.1687    0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684   -0.7165    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8768    0.4807   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541    1.6240   -0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3529    0.6778   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301    1.8465   -1.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5811    2.0151   -1.3371 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8115    0.9799   -1.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.3553   -0.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    0.6246   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856   -0.1640    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.1035    0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8885   -0.5749    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7633   -1.4771    0.6544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667   -0.9938    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8581   -1.9775   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213   -2.0317   -1.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6099   -1.0271    2.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9410   -0.5989    2.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7315   -0.1856    2.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4913    0.8611    3.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5904    0.4156    2.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363    0.9450    3.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9439    0.1496   -2.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9926    1.0266   -2.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    0.2439   -3.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391   -0.8988   -3.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234    1.3913   -3.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855    2.5181   -2.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259   -1.1555    3.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8930   -0.5621    4.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497   -1.7501    2.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2285    0.9400    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611    0.9200    2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6014   -0.6868    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6380    0.6716    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -1.5686   -0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6258   -2.0594    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644   -1.5615   -0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231   -0.5536    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    0.2299   -1.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350    2.1111   -1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317   -0.2866   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193    0.8093    0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.8570   -2.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785    2.7588   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505    0.2040   -2.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    1.6966   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312   -1.2244    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886    0.1267    1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -1.1731    1.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1076    0.0198    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9294   -1.6903   -0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7936   -2.9956    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3166   -2.0495   -1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5304   -2.0903    2.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4940   -1.4279    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3296   -0.7742    3.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0411    1.2824    2.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9497    1.2545    1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0755    1.5907    3.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837   -0.8625   -2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6444    0.5435   -2.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5671    0.4505   -4.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460   -1.5035   -4.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293    1.5694   -3.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227    3.2597   -2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 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
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 13 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 11  1  0
 25 16  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  2 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 11 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 16 54  1  0
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  0
 26 64  1  0
 27 65  1  0
 28 66  1  0
 29 67  1  0
 30 68  1  0
 31 69  1  0
 32 70  1  0
M  END


  Mrv0541 05061306422D          

 32 33  0  0  0  0            999 V2000
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  1  0  0  0  0
 10  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  8  1  0  0  0  0
 12  9  1  0  0  0  0
 13 11  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  8  1  0  0  0  0
 22 10  1  0  0  0  0
 23 13  1  0  0  0  0
 24 14  1  0  0  0  0
 25 15  1  0  0  0  0
 26 16  1  0  0  0  0
 27 17  1  0  0  0  0
 28 18  1  0  0  0  0
 29  7  1  0  0  0  0
 29 19  1  0  0  0  0
 30  9  1  0  0  0  0
 30 20  1  0  0  0  0
 31 11  1  0  0  0  0
 31 20  1  0  0  0  0
 32 12  1  0  0  0  0
 32 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032799

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H38O12/c1-2-3-4-5-10(22)6-7-29-19-17(27)16(26)14(24)12(32-19)9-30-20-18(28)15(25)13(23)11(8-21)31-20/h10-28H,2-9H2,1H3

> <INCHI_KEY>
ODOJEOFQPWTDSS-UHFFFAOYSA-N

> <FORMULA>
C20H38O12

> <MOLECULAR_WEIGHT>
470.5085

> <EXACT_MASS>
470.23632668

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
49.02944908433498

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-1.35

> <JCHEM_LOGP>
-2.4175872183333333

> <ALOGPS_LOGS>
-1.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.432448022886256

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.910534914327611

> <JCHEM_PKA_STRONGEST_BASIC>
-2.717033752736504

> <JCHEM_POLAR_SURFACE_AREA>
198.75999999999996

> <JCHEM_REFRACTIVITY>
106.9914

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.59e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(3-hydroxyoctyl)oxy]-6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0032799
     RDKit          3D
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol
 70 71  0  0  0  0  0  0  0  0999 V2000
    7.3772   -0.8518    3.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3530    0.2761    2.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   -0.1882    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5780   -1.1687    0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684   -0.7165    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8768    0.4807   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541    1.6240   -0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3529    0.6778   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301    1.8465   -1.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5811    2.0151   -1.3371 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8115    0.9799   -1.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.3553   -0.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    0.6246   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856   -0.1640    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.1035    0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8885   -0.5749    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7633   -1.4771    0.6544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667   -0.9938    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8581   -1.9775   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213   -2.0317   -1.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6099   -1.0271    2.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9410   -0.5989    2.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7315   -0.1856    2.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4913    0.8611    3.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5904    0.4156    2.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363    0.9450    3.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9439    0.1496   -2.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9926    1.0266   -2.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    0.2439   -3.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391   -0.8988   -3.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234    1.3913   -3.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855    2.5181   -2.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259   -1.1555    3.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8930   -0.5621    4.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497   -1.7501    2.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2285    0.9400    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611    0.9200    2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6014   -0.6868    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6380    0.6716    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -1.5686   -0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6258   -2.0594    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644   -1.5615   -0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231   -0.5536    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    0.2299   -1.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350    2.1111   -1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317   -0.2866   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193    0.8093    0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.8570   -2.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785    2.7588   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505    0.2040   -2.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    1.6966   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312   -1.2244    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886    0.1267    1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -1.1731    1.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1076    0.0198    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9294   -1.6903   -0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7936   -2.9956    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3166   -2.0495   -1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5304   -2.0903    2.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4940   -1.4279    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3296   -0.7742    3.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0411    1.2824    2.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9497    1.2545    1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0755    1.5907    3.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837   -0.8625   -2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6444    0.5435   -2.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5671    0.4505   -4.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460   -1.5035   -4.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293    1.5694   -3.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227    3.2597   -2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 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
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 13 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 11  1  0
 25 16  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  2 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 11 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 16 54  1  0
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  0
 26 64  1  0
 27 65  1  0
 28 66  1  0
 29 67  1  0
 30 68  1  0
 31 69  1  0
 32 70  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002  10.780   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669  10.780   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.003  11.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      21.339   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      18.672  10.780   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336  11.550   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      21.339   6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      17.338  11.550   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      22.673   6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.338  13.090   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      22.673   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.004  13.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.671  13.090   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      21.339   9.240   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.671  11.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.005   8.470   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      22.673   3.850   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       9.336  13.090   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      24.006   6.160   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      18.672  13.860   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      24.006   9.240   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      16.004  15.400   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      13.337  13.860   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      21.339  10.780   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      13.337  10.780   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      18.672   9.240   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      20.005   6.930   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      16.004  10.780   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4   10                                                       
CONECT    6    7   10                                                       
CONECT    7    6   29                                                       
CONECT    8   11   21                                                       
CONECT    9   12   30                                                       
CONECT   10    5    6   22                                                  
CONECT   11    8   13   31                                                  
CONECT   12    9   14   32                                                  
CONECT   13   11   15   23                                                  
CONECT   14   12   16   24                                                  
CONECT   15   13   18   25                                                  
CONECT   16   14   17   26                                                  
CONECT   17   16   19   27                                                  
CONECT   18   15   20   28                                                  
CONECT   19   17   29   32                                                  
CONECT   20   18   30   31                                                  
CONECT   21    8                                                            
CONECT   22   10                                                            
CONECT   23   13                                                            
CONECT   24   14                                                            
CONECT   25   15                                                            
CONECT   26   16                                                            
CONECT   27   17                                                            
CONECT   28   18                                                            
CONECT   29    7   19                                                       
CONECT   30    9   20                                                       
CONECT   31   11   20                                                       
CONECT   32   12   19                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   66    0
END

COMPND    HMDB0032799
HETATM    1  C1  UNL     1       7.377  -0.852   3.184  1.00  0.00           C  
HETATM    2  C2  UNL     1       7.353   0.276   2.177  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.585  -0.188   0.774  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.578  -1.169   0.282  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.168  -0.716   0.259  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.877   0.481  -0.596  1.00  0.00           C  
HETATM    7  O1  UNL     1       5.554   1.624  -0.249  1.00  0.00           O  
HETATM    8  C7  UNL     1       3.353   0.678  -0.559  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.930   1.847  -1.376  1.00  0.00           C  
HETATM   10  O2  UNL     1       1.581   2.015  -1.337  1.00  0.00           O  
HETATM   11  C9  UNL     1       0.811   0.980  -1.849  1.00  0.00           C  
HETATM   12  O3  UNL     1       0.083   0.355  -0.879  1.00  0.00           O  
HETATM   13  C10 UNL     1      -1.253   0.625  -0.889  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.886  -0.164   0.255  1.00  0.00           C  
HETATM   15  O4  UNL     1      -3.237   0.104   0.250  1.00  0.00           O  
HETATM   16  C12 UNL     1      -3.889  -0.575   1.258  1.00  0.00           C  
HETATM   17  O5  UNL     1      -4.763  -1.477   0.654  1.00  0.00           O  
HETATM   18  C13 UNL     1      -6.067  -0.994   0.625  1.00  0.00           C  
HETATM   19  C14 UNL     1      -6.858  -1.978  -0.247  1.00  0.00           C  
HETATM   20  O6  UNL     1      -6.321  -2.032  -1.530  1.00  0.00           O  
HETATM   21  C15 UNL     1      -6.610  -1.027   2.031  1.00  0.00           C  
HETATM   22  O7  UNL     1      -7.941  -0.599   2.061  1.00  0.00           O  
HETATM   23  C16 UNL     1      -5.731  -0.186   2.906  1.00  0.00           C  
HETATM   24  O8  UNL     1      -6.491   0.861   3.473  1.00  0.00           O  
HETATM   25  C17 UNL     1      -4.590   0.416   2.127  1.00  0.00           C  
HETATM   26  O9  UNL     1      -3.636   0.945   3.015  1.00  0.00           O  
HETATM   27  C18 UNL     1      -1.944   0.150  -2.153  1.00  0.00           C  
HETATM   28  O10 UNL     1      -2.993   1.027  -2.409  1.00  0.00           O  
HETATM   29  C19 UNL     1      -0.986   0.244  -3.335  1.00  0.00           C  
HETATM   30  O11 UNL     1      -0.239  -0.899  -3.503  1.00  0.00           O  
HETATM   31  C20 UNL     1      -0.023   1.391  -3.013  1.00  0.00           C  
HETATM   32  O12 UNL     1      -0.786   2.518  -2.815  1.00  0.00           O  
HETATM   33  H1  UNL     1       6.326  -1.155   3.454  1.00  0.00           H  
HETATM   34  H2  UNL     1       7.893  -0.562   4.125  1.00  0.00           H  
HETATM   35  H3  UNL     1       7.850  -1.750   2.735  1.00  0.00           H  
HETATM   36  H4  UNL     1       8.228   0.940   2.441  1.00  0.00           H  
HETATM   37  H5  UNL     1       6.461   0.920   2.287  1.00  0.00           H  
HETATM   38  H6  UNL     1       8.601  -0.687   0.784  1.00  0.00           H  
HETATM   39  H7  UNL     1       7.638   0.672   0.110  1.00  0.00           H  
HETATM   40  H8  UNL     1       6.841  -1.569  -0.711  1.00  0.00           H  
HETATM   41  H9  UNL     1       6.626  -2.059   0.975  1.00  0.00           H  
HETATM   42  H10 UNL     1       4.564  -1.562  -0.182  1.00  0.00           H  
HETATM   43  H11 UNL     1       4.723  -0.554   1.262  1.00  0.00           H  
HETATM   44  H12 UNL     1       5.190   0.230  -1.645  1.00  0.00           H  
HETATM   45  H13 UNL     1       5.935   2.111  -1.027  1.00  0.00           H  
HETATM   46  H14 UNL     1       2.932  -0.287  -0.886  1.00  0.00           H  
HETATM   47  H15 UNL     1       3.119   0.809   0.522  1.00  0.00           H  
HETATM   48  H16 UNL     1       3.367   1.857  -2.394  1.00  0.00           H  
HETATM   49  H17 UNL     1       3.379   2.759  -0.881  1.00  0.00           H  
HETATM   50  H18 UNL     1       1.551   0.204  -2.221  1.00  0.00           H  
HETATM   51  H19 UNL     1      -1.480   1.697  -0.754  1.00  0.00           H  
HETATM   52  H20 UNL     1      -1.631  -1.224   0.077  1.00  0.00           H  
HETATM   53  H21 UNL     1      -1.389   0.127   1.217  1.00  0.00           H  
HETATM   54  H22 UNL     1      -3.128  -1.173   1.823  1.00  0.00           H  
HETATM   55  H23 UNL     1      -6.108   0.020   0.183  1.00  0.00           H  
HETATM   56  H24 UNL     1      -7.929  -1.690  -0.282  1.00  0.00           H  
HETATM   57  H25 UNL     1      -6.794  -2.996   0.168  1.00  0.00           H  
HETATM   58  H26 UNL     1      -5.317  -2.050  -1.432  1.00  0.00           H  
HETATM   59  H27 UNL     1      -6.530  -2.090   2.373  1.00  0.00           H  
HETATM   60  H28 UNL     1      -8.494  -1.428   1.992  1.00  0.00           H  
HETATM   61  H29 UNL     1      -5.330  -0.774   3.752  1.00  0.00           H  
HETATM   62  H30 UNL     1      -7.041   1.282   2.765  1.00  0.00           H  
HETATM   63  H31 UNL     1      -4.950   1.254   1.502  1.00  0.00           H  
HETATM   64  H32 UNL     1      -4.075   1.591   3.613  1.00  0.00           H  
HETATM   65  H33 UNL     1      -2.384  -0.862  -2.051  1.00  0.00           H  
HETATM   66  H34 UNL     1      -3.644   0.543  -2.981  1.00  0.00           H  
HETATM   67  H35 UNL     1      -1.567   0.450  -4.256  1.00  0.00           H  
HETATM   68  H36 UNL     1      -0.746  -1.504  -4.097  1.00  0.00           H  
HETATM   69  H37 UNL     1       0.629   1.569  -3.908  1.00  0.00           H  
HETATM   70  H38 UNL     1      -0.323   3.260  -2.388  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3   36   37
CONECT    3    4   38   39
CONECT    4    5   40   41
CONECT    5    6   42   43
CONECT    6    7    8   44
CONECT    7   45
CONECT    8    9   46   47
CONECT    9   10   48   49
CONECT   10   11
CONECT   11   12   31   50
CONECT   12   13
CONECT   13   14   27   51
CONECT   14   15   52   53
CONECT   15   16
CONECT   16   17   25   54
CONECT   17   18
CONECT   18   19   21   55
CONECT   19   20   56   57
CONECT   20   58
CONECT   21   22   23   59
CONECT   22   60
CONECT   23   24   25   61
CONECT   24   62
CONECT   25   26   63
CONECT   26   64
CONECT   27   28   29   65
CONECT   28   66
CONECT   29   30   31   67
CONECT   30   68
CONECT   31   32   69
CONECT   32   70
END

HMDB0032799
     RDKit          3D
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol
 70 71  0  0  0  0  0  0  0  0999 V2000
    7.3772   -0.8518    3.1844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3530    0.2761    2.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   -0.1882    0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5780   -1.1687    0.2821 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1684   -0.7165    0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8768    0.4807   -0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5541    1.6240   -0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3529    0.6778   -0.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9301    1.8465   -1.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5811    2.0151   -1.3371 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8115    0.9799   -1.8491 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    0.3553   -0.8794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2533    0.6246   -0.8887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8856   -0.1640    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2365    0.1035    0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8885   -0.5749    1.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7633   -1.4771    0.6544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0667   -0.9938    0.6250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8581   -1.9775   -0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3213   -2.0317   -1.5299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6099   -1.0271    2.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9410   -0.5989    2.0614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7315   -0.1856    2.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4913    0.8611    3.4728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5904    0.4156    2.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6363    0.9450    3.0147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9439    0.1496   -2.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9926    1.0266   -2.4091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    0.2439   -3.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391   -0.8988   -3.5034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0234    1.3913   -3.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7855    2.5181   -2.8149 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3259   -1.1555    3.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8930   -0.5621    4.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8497   -1.7501    2.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2285    0.9400    2.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4611    0.9200    2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6014   -0.6868    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6380    0.6716    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -1.5686   -0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6258   -2.0594    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5644   -1.5615   -0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7231   -0.5536    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1900    0.2299   -1.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9350    2.1111   -1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9317   -0.2866   -0.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1193    0.8093    0.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.8570   -2.3942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3785    2.7588   -0.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5505    0.2040   -2.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802    1.6966   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6312   -1.2244    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886    0.1267    1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1282   -1.1731    1.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1076    0.0198    0.1832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9294   -1.6903   -0.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7936   -2.9956    0.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3166   -2.0495   -1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5304   -2.0903    2.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4940   -1.4279    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3296   -0.7742    3.7520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0411    1.2824    2.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9497    1.2545    1.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0755    1.5907    3.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3837   -0.8625   -2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6444    0.5435   -2.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5671    0.4505   -4.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7460   -1.5035   -4.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293    1.5694   -3.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3227    3.2597   -2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 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
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 13 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 11  1  0
 25 16  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  2 37  1  0
  3 38  1  0
  3 39  1  0
  4 40  1  0
  4 41  1  0
  5 42  1  0
  5 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  9 48  1  0
  9 49  1  0
 11 50  1  0
 13 51  1  0
 14 52  1  0
 14 53  1  0
 16 54  1  0
 18 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 21 59  1  0
 22 60  1  0
 23 61  1  0
 24 62  1  0
 25 63  1  0
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 28 66  1  0
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 30 68  1  0
 31 69  1  0
 32 70  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₀H₃₈O₁₂

Average Molecular Weight

470.5085

Monoisotopic Molecular Weight

470.23632668

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C20H38O12/c1-2-3-4-5-10(22)6-7-29-19-17(27)16(26)14(24)12(32-19)9-30-20-18(28)15(25)13(23)11(8-21)31-20/h10-28H,2-9H2,1H3

InChI Key

ODOJEOFQPWTDSS-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
Disaccharide
Glycosyl compound
O-glycosyl compound
Fatty alcohol
Oxane
Secondary alcohol
Acetal
Organoheterocyclic compound
Oxacycle
Polyol
Organooxygen compound
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0032799)

Biofluid or Excreta

Urine (HMDB: HMDB0032799)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0032799)

Source

Endogenous

Endogenous (HMDB: HMDB0032799)

Plant

Plant (HMDB: HMDB0032799)

Animal

Animal (HMDB: HMDB0032799)

Exogenous

Food

Food (HMDB: HMDB0032799)

Fruit

Fruits (FooDB: FOOD00871)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0032799)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0032799)

Cellular process

Cell signaling (HMDB: HMDB0032799)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0032799)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0032799)

Nutrient

Nutrient (HMDB: HMDB0032799)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0032799)

Emulsifier (HMDB: HMDB0032799)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	25.9 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-2.4	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	11.91	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	198.76 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	106.99 m³·mol⁻¹	ChemAxon
Polarizability	49.03 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	207.264	31661259
DarkChem	[M-H]-	202.938	31661259
DeepCCS	[M+H]+	211.188	30932474
DeepCCS	[M-H]-	207.739	30932474
DeepCCS	[M-2H]-	243.712	30932474
DeepCCS	[M+Na]+	220.003	30932474
AllCCS	[M+H]+	212.4	32859911
AllCCS	[M+H-H2O]+	210.7	32859911
AllCCS	[M+NH4]+	213.9	32859911
AllCCS	[M+Na]+	214.4	32859911
AllCCS	[M-H]-	209.8	32859911
AllCCS	[M+Na-2H]-	210.5	32859911
AllCCS	[M+HCOO]-	211.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	3368.0	Standard polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	3881.5	Standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	3697.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3812.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #2	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O	3827.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #3	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	3816.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #4	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3777.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #5	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3805.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #6	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3829.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #7	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3791.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TMS,isomer #8	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3817.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3758.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #10	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3768.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #11	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3780.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #12	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3724.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #13	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3769.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #14	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3759.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #15	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3762.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #16	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3786.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #17	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3736.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #18	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3781.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #19	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3771.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #2	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3748.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #20	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3740.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #21	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3685.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #22	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3732.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #23	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3780.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #24	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3728.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #25	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3782.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #26	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3774.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #27	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3775.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #28	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3774.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #3	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3708.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #4	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3748.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #5	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3772.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #6	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3721.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #7	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3763.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #8	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	3777.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TMS,isomer #9	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3724.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3687.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #10	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3656.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #11	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3711.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #12	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3677.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #13	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3649.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #14	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3598.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #15	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3643.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #16	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3701.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #17	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3632.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #18	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3693.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #19	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3676.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #2	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3622.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #20	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3699.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #21	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3685.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #22	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	3668.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #23	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	3666.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #24	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	3688.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #25	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	3618.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #26	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	3680.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #27	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3675.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #28	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3626.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #29	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3577.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #3	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3686.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #30	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3624.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #31	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3689.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #32	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3620.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #33	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3682.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #34	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3666.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #35	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3670.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #36	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3674.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #37	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3718.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #38	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3677.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #39	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3625.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #4	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3689.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #40	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3671.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #41	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3686.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #42	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3636.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #43	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3680.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #44	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3690.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #45	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3694.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #46	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3695.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #47	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3685.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #48	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3632.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #49	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3683.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #5	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3620.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #50	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3632.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #51	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3640.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #52	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3640.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #53	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3677.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #54	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3678.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #55	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3684.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #56	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3742.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #6	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3680.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #7	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3667.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #8	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3682.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TMS,isomer #9	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3717.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C	3538.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #10	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3556.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #11	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3514.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #12	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3552.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #13	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3530.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #14	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3575.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #15	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3546.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #16	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3566.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #17	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3547.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #18	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3494.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #19	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3537.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #2	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3572.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #20	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3565.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #21	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3517.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #22	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3558.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #23	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3564.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #24	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3601.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #25	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3575.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #26	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3551.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #27	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3501.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #28	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3544.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #29	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3511.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #3	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3562.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #30	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3555.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #31	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3524.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #32	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3539.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #33	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3578.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #34	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3551.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #35	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3644.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #36	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	3637.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #37	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	3578.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #38	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	3525.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #39	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	3577.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #4	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3516.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #40	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3599.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #41	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3543.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #42	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3594.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #43	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3571.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #44	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3597.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #45	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3587.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #46	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3578.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #47	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3525.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #48	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3576.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #49	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3519.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #5	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3556.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #50	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3549.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #51	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3534.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #52	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3562.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #53	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3588.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #54	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3578.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #55	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3631.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #56	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3601.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #57	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3547.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #58	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3595.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #59	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3550.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #6	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3542.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #60	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3581.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #61	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3564.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #62	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3569.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #63	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3592.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #64	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3582.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #65	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3654.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #66	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3559.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #67	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3589.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #68	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3575.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #69	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3599.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #7	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3521.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #70	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3639.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #8	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3478.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,4TMS,isomer #9	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3514.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C	3540.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #10	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3480.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #11	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3473.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #12	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3420.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #13	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3468.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #14	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3418.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #15	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3475.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #16	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3429.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #17	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3457.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #18	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3518.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #19	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3471.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #2	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3476.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #20	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3547.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #21	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3473.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #22	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3422.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #23	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3467.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #24	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3431.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #25	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3493.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #26	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3444.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #27	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3443.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #28	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3507.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #29	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3458.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #3	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3424.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #30	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3566.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #31	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3432.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #32	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3499.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #33	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3447.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #34	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3518.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #35	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	3542.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #36	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3595.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #37	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3532.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #38	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3592.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #39	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3479.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #4	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3468.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #40	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3530.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #41	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3496.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #42	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3527.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #43	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3573.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #44	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3540.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #45	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3591.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #46	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3483.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #47	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3533.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #48	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3499.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #49	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3527.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #5	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	3529.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #50	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3586.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #51	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3485.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #52	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3536.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #53	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3503.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #54	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3548.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #55	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3564.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #56	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3554.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #6	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3471.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #7	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3515.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #8	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	3467.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,5TMS,isomer #9	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	3524.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4040.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #2	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O	4019.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #3	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	4051.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #4	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4025.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #5	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4042.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #6	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4057.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #7	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4033.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,1TBDMS,isomer #8	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4051.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4186.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #10	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4158.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #11	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4178.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #12	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4138.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #13	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4158.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #14	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4171.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #15	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4169.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #16	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4199.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #17	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4164.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #18	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4184.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #19	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4175.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #2	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4186.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #20	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4150.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #21	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4111.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #22	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4134.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #23	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4164.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #24	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4128.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #25	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4150.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #26	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4196.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #27	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4195.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #28	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4202.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #3	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4133.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #4	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4154.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #5	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4198.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #6	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4155.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #7	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4186.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #8	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	4174.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,2TBDMS,isomer #9	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4140.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #1	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4247.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #10	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4246.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #11	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4273.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #12	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4258.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #13	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4240.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #14	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4226.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #15	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4222.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #16	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4254.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #17	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4209.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #18	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4245.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #19	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4274.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #2	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4208.7	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #20	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4297.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #21	CCCCCC(CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4286.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #22	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	4251.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #23	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4253.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #24	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4263.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #25	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4224.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #26	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4246.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #27	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4256.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #28	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4228.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #29	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4203.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #3	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4227.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #30	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4213.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #31	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4246.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #32	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4210.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #33	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4224.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #34	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4247.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #35	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4251.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #36	CCCCCC(O)CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4257.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #37	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	4295.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #38	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4273.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #39	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4233.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #4	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4247.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #40	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4256.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #41	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4276.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #42	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4233.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #43	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4256.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #44	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4288.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #45	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4300.1	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #46	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4299.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #47	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4281.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #48	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4239.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #49	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4264.2	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #5	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	4206.4	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #50	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4241.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #51	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4242.0	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #52	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4245.9	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #53	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4255.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #54	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4261.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #55	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O[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	4264.5	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #56	CCCCCC(O)CCOC1OC(COC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4346.6	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #6	CCCCCC(CCOC1OC(COC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4230.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #7	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4242.8	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #8	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	4250.3	Semi standard non polar	33892256
(R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol,3TBDMS,isomer #9	CCCCCC(CCOC1OC(COC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)O[Si](C)(C)C(C)(C)C	4283.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol GC-MS (Non-derivatized) - 70eV, Positive	splash10-0udi-3524900000-f3a34779920cba727b92	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol GC-MS (3 TMS) - 70eV, Positive	splash10-00xr-2212119000-2bc2e8810011c6c64430	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 10V, Positive-QTOF	splash10-0uk9-0310900000-8e539ea0dc56869dc9e2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 20V, Positive-QTOF	splash10-01ta-2921100000-b3b5f22aec40fd030ebf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 40V, Positive-QTOF	splash10-01td-6910200000-a9e5e903fc405be9237f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 10V, Negative-QTOF	splash10-016r-3923800000-6a9d9ac1f2480a9dbaf7	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 20V, Negative-QTOF	splash10-0h6r-3913200000-594922789c4023de1d71	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 40V, Negative-QTOF	splash10-05bg-9710000000-8e4df7c30ba90a451aec	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 10V, Positive-QTOF	splash10-0m76-2632900000-c4fa62bbe4d4e6796839	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 20V, Positive-QTOF	splash10-0006-9310100000-d66af0e11130821d587f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 40V, Positive-QTOF	splash10-052f-9200000000-bf411c019b9205a4fb55	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 10V, Negative-QTOF	splash10-014i-0001900000-96522af14d8296836b1c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 20V, Negative-QTOF	splash10-0pvl-9434700000-6f3ed34cad3eab381f8a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol 40V, Negative-QTOF	splash10-0a4l-9301000000-a4e8a2bd92c5ee8cc7b2	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB010771

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751313

PDB ID

Not Available

ChEBI ID

167932

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

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for (R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol (HMDB0032799)

MOL for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

3D MOL for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

3D SDF for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

3D-SDF for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

PDB for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

3D PDB for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

SMILES for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

INCHI for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

Structure for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

3D Structure for HMDB0032799 ((R)-1-O-[b-D-Glucopyranosyl-(1->6)-b-D-glucopyranoside]-1,3-octanediol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra