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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:51:22 UTC

Update Date

2022-03-07 02:56:11 UTC

HMDB ID

HMDB0039409

Secondary Accession Numbers

HMDB39409

Metabolite Identification

Common Name

N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid

Description

N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid.

Structure

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

  Mrv0541 09121200512D          

 34 36  0  0  0  0            999 V2000
   -1.8782   -3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649   -2.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615   -1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8747   -2.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214   -3.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742    2.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509    2.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    1.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808   -2.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774   -1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -2.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -0.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0308   -1.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941   -0.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6474    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    0.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7275   -0.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -1.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450   -1.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4217   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115    0.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376    1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283    1.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115    2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283    3.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549    2.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8782    0.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615   -0.9199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END

HMDB0039409
     RDKit          3D
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic...
 58 60  0  0  0  0  0  0  0  0999 V2000
    4.3986    1.0759    3.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928    0.2878    2.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0754   -0.4335    3.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963    0.1208    1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1729    0.9483    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    0.6715    0.6679 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    0.1606   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674   -0.0507   -1.4388 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.1113    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3577   -0.6519   -0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6224   -0.8889   -0.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581    0.1594   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692   -0.1911    1.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5789    0.5587    1.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    1.5615    2.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    2.4068    2.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5952    1.2581    1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7396    1.5464    1.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8630    0.2786   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1050   -0.9957    0.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651    0.3341   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018    1.5771   -1.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2521    0.2696   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719    1.4767   -2.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.4650   -3.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651   -1.8095   -2.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -2.8506   -3.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668   -4.0613   -2.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -4.2508   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646   -3.1753   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -1.9494   -1.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5178    2.3715    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6741    3.1887    0.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922    2.7961    0.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5760   -1.2590    2.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    0.4213    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0204   -0.9588    0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.7028   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304    0.8653    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109    0.8297    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -0.8730    0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899    1.1119   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1735   -0.1273    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2854    1.0617    3.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7082    2.1137    3.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394    3.3314    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1045    2.1462    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4230    1.8758    1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6897    0.7209   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8417   -1.3801   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6341   -0.4420   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4363    1.4838   -2.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4919   -0.0732   -4.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060   -2.7655   -4.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868   -4.9186   -3.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266   -5.1870   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -3.3518    0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    3.5087    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  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
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
  5 32  1  0
 32 33  2  0
 32 34  1  0
 31 10  1  0
 21 12  1  0
 31 26  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
  9 41  1  0
 12 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 25 53  1  0
 27 54  1  0
 28 55  1  0
 29 56  1  0
 30 57  1  0
 34 58  1  0
M  END

  Mrv0541 09121200512D          

 34 36  0  0  0  0            999 V2000
   -1.8782   -3.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2649   -2.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615   -1.6865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8747   -2.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7214   -3.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742    2.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6509    2.0698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    1.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8808   -2.9897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1108   -2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774   -1.9165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -2.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8747   -0.8432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0308   -1.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4941   -0.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6474    0.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4148    0.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7275   -0.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4976   -1.6099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3450   -1.7632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9582   -1.2265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4217   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4983    0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115    0.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1909    0.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0376    1.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283    1.8399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115    2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7283    3.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9549    2.6064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8782    0.0767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4949   -0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2615   -0.9199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039409

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,23,27-29H,5-7H2,(H,21,24)(H,22,32)(H,25,26)(H,30,31)

> <INCHI_KEY>
ANAVISFXAGVRIA-UHFFFAOYSA-N

> <FORMULA>
C20H24N2O12

> <MOLECULAR_WEIGHT>
484.4108

> <EXACT_MASS>
484.132924242

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
44.77414452371418

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetamido]butanedioic acid

> <ALOGPS_LOGP>
-1.29

> <JCHEM_LOGP>
-2.8013208506666665

> <ALOGPS_LOGS>
-1.47

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
4.909741787649362

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.123337044157502

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483785012763184

> <JCHEM_POLAR_SURFACE_AREA>
232.17999999999998

> <JCHEM_REFRACTIVITY>
107.41789999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.64e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetamido]butanedioic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039409
     RDKit          3D
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic...
 58 60  0  0  0  0  0  0  0  0999 V2000
    4.3986    1.0759    3.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928    0.2878    2.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0754   -0.4335    3.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963    0.1208    1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1729    0.9483    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    0.6715    0.6679 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    0.1606   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674   -0.0507   -1.4388 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.1113    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3577   -0.6519   -0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6224   -0.8889   -0.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581    0.1594   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692   -0.1911    1.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5789    0.5587    1.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    1.5615    2.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    2.4068    2.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5952    1.2581    1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7396    1.5464    1.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8630    0.2786   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1050   -0.9957    0.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651    0.3341   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018    1.5771   -1.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2521    0.2696   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719    1.4767   -2.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.4650   -3.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651   -1.8095   -2.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -2.8506   -3.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668   -4.0613   -2.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -4.2508   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646   -3.1753   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -1.9494   -1.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5178    2.3715    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6741    3.1887    0.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922    2.7961    0.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5760   -1.2590    2.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    0.4213    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0204   -0.9588    0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.7028   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304    0.8653    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109    0.8297    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -0.8730    0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899    1.1119   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1735   -0.1273    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2854    1.0617    3.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7082    2.1137    3.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394    3.3314    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1045    2.1462    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4230    1.8758    1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6897    0.7209   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8417   -1.3801   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6341   -0.4420   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4363    1.4838   -2.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4919   -0.0732   -4.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060   -2.7655   -4.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868   -4.9186   -3.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266   -5.1870   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -3.3518    0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    3.5087    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  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
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
  5 32  1  0
 32 33  2  0
 32 34  1  0
 31 10  1  0
 21 12  1  0
 31 26  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
  9 41  1  0
 12 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 25 53  1  0
 27 54  1  0
 28 55  1  0
 29 56  1  0
 30 57  1  0
 34 58  1  0
M  END

HEADER    PROTEIN                                 12-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-12         0                                  
HETATM    1  C   UNK     0      -3.506  -6.153   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.361  -5.151   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.790  -3.577   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.221  -3.148   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.366  -4.150   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.080  -5.724   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.072   5.438   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.215   3.864   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       2.646   3.291   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.644  -5.581   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.073  -4.007   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.504  -3.577   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       4.651  -4.579   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       5.366  -1.574   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       3.791  -2.003   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.789  -1.002   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.075   0.573   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.508   1.145   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0       1.358  -1.431   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.929  -3.005   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.644  -3.291   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -1.789  -2.289   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.787  -1.145   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.930   0.429   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -2.075   1.431   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0       0.356   1.288   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0       0.070   2.862   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.359   3.434   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.075   4.865   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -1.359   6.153   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -3.649   4.865   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -3.506   0.143   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -2.790  -1.145   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      -4.221  -1.717   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5   34                                                  
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    8                                                            
CONECT    8    7    9   27                                                  
CONECT    9    8                                                            
CONECT   10   11                                                            
CONECT   11   10   12   20                                                  
CONECT   12   11   13   15                                                  
CONECT   13   12                                                            
CONECT   14   15                                                            
CONECT   15   12   14   16                                                  
CONECT   16   15   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20                                                       
CONECT   20   11   19   21                                                  
CONECT   21   20   22                                                       
CONECT   22    3   21   23   33                                             
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27                                                       
CONECT   27    8   26   28                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   33                                                            
CONECT   33   22   32   34                                                  
CONECT   34    4   33                                                       
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

COMPND    HMDB0039409
HETATM    1  O1  UNL     1       4.399   1.076   3.020  1.00  0.00           O  
HETATM    2  C1  UNL     1       5.193   0.288   2.471  1.00  0.00           C  
HETATM    3  O2  UNL     1       6.075  -0.434   3.243  1.00  0.00           O  
HETATM    4  C2  UNL     1       5.196   0.121   1.009  1.00  0.00           C  
HETATM    5  C3  UNL     1       4.173   0.948   0.291  1.00  0.00           C  
HETATM    6  N1  UNL     1       2.814   0.671   0.668  1.00  0.00           N  
HETATM    7  C4  UNL     1       1.893   0.161  -0.271  1.00  0.00           C  
HETATM    8  O3  UNL     1       2.267  -0.051  -1.439  1.00  0.00           O  
HETATM    9  C5  UNL     1       0.510  -0.111   0.148  1.00  0.00           C  
HETATM   10  C6  UNL     1      -0.358  -0.652  -0.970  1.00  0.00           C  
HETATM   11  O4  UNL     1      -1.622  -0.889  -0.537  1.00  0.00           O  
HETATM   12  C7  UNL     1      -2.358   0.159  -0.044  1.00  0.00           C  
HETATM   13  O5  UNL     1      -2.669  -0.191   1.255  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.579   0.559   1.904  1.00  0.00           C  
HETATM   15  C9  UNL     1      -2.935   1.561   2.849  1.00  0.00           C  
HETATM   16  O6  UNL     1      -2.113   2.407   2.100  1.00  0.00           O  
HETATM   17  C10 UNL     1      -4.595   1.258   1.044  1.00  0.00           C  
HETATM   18  O7  UNL     1      -5.740   1.546   1.749  1.00  0.00           O  
HETATM   19  C11 UNL     1      -4.863   0.279  -0.109  1.00  0.00           C  
HETATM   20  O8  UNL     1      -5.105  -0.996   0.347  1.00  0.00           O  
HETATM   21  C12 UNL     1      -3.565   0.334  -0.929  1.00  0.00           C  
HETATM   22  O9  UNL     1      -3.602   1.577  -1.562  1.00  0.00           O  
HETATM   23  C13 UNL     1      -0.252   0.270  -2.115  1.00  0.00           C  
HETATM   24  O10 UNL     1      -0.572   1.477  -2.187  1.00  0.00           O  
HETATM   25  N2  UNL     1       0.304  -0.465  -3.197  1.00  0.00           N  
HETATM   26  C14 UNL     1       0.565  -1.809  -2.774  1.00  0.00           C  
HETATM   27  C15 UNL     1       1.104  -2.851  -3.498  1.00  0.00           C  
HETATM   28  C16 UNL     1       1.267  -4.061  -2.868  1.00  0.00           C  
HETATM   29  C17 UNL     1       0.911  -4.251  -1.562  1.00  0.00           C  
HETATM   30  C18 UNL     1       0.365  -3.175  -0.850  1.00  0.00           C  
HETATM   31  C19 UNL     1       0.189  -1.949  -1.454  1.00  0.00           C  
HETATM   32  C20 UNL     1       4.518   2.371   0.456  1.00  0.00           C  
HETATM   33  O11 UNL     1       3.674   3.189   0.881  1.00  0.00           O  
HETATM   34  O12 UNL     1       5.792   2.796   0.134  1.00  0.00           O  
HETATM   35  H1  UNL     1       6.576  -1.259   2.942  1.00  0.00           H  
HETATM   36  H2  UNL     1       6.211   0.421   0.655  1.00  0.00           H  
HETATM   37  H3  UNL     1       5.020  -0.959   0.738  1.00  0.00           H  
HETATM   38  H4  UNL     1       4.301   0.703  -0.804  1.00  0.00           H  
HETATM   39  H5  UNL     1       2.530   0.865   1.672  1.00  0.00           H  
HETATM   40  H6  UNL     1       0.111   0.830   0.566  1.00  0.00           H  
HETATM   41  H7  UNL     1       0.550  -0.873   0.967  1.00  0.00           H  
HETATM   42  H8  UNL     1      -1.790   1.112  -0.077  1.00  0.00           H  
HETATM   43  H9  UNL     1      -4.174  -0.127   2.580  1.00  0.00           H  
HETATM   44  H10 UNL     1      -2.285   1.062   3.593  1.00  0.00           H  
HETATM   45  H11 UNL     1      -3.708   2.114   3.408  1.00  0.00           H  
HETATM   46  H12 UNL     1      -2.439   3.331   2.211  1.00  0.00           H  
HETATM   47  H13 UNL     1      -4.105   2.146   0.603  1.00  0.00           H  
HETATM   48  H14 UNL     1      -6.423   1.876   1.109  1.00  0.00           H  
HETATM   49  H15 UNL     1      -5.690   0.721  -0.689  1.00  0.00           H  
HETATM   50  H16 UNL     1      -5.842  -1.380  -0.201  1.00  0.00           H  
HETATM   51  H17 UNL     1      -3.634  -0.442  -1.720  1.00  0.00           H  
HETATM   52  H18 UNL     1      -3.436   1.484  -2.528  1.00  0.00           H  
HETATM   53  H19 UNL     1       0.492  -0.073  -4.158  1.00  0.00           H  
HETATM   54  H20 UNL     1       1.406  -2.766  -4.532  1.00  0.00           H  
HETATM   55  H21 UNL     1       1.687  -4.919  -3.387  1.00  0.00           H  
HETATM   56  H22 UNL     1       1.027  -5.187  -1.044  1.00  0.00           H  
HETATM   57  H23 UNL     1       0.091  -3.352   0.182  1.00  0.00           H  
HETATM   58  H24 UNL     1       6.242   3.509   0.712  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   35
CONECT    4    5   36   37
CONECT    5    6   32   38
CONECT    6    7   39
CONECT    7    8    8    9
CONECT    9   10   40   41
CONECT   10   11   23   31
CONECT   11   12
CONECT   12   13   21   42
CONECT   13   14
CONECT   14   15   17   43
CONECT   15   16   44   45
CONECT   16   46
CONECT   17   18   19   47
CONECT   18   48
CONECT   19   20   21   49
CONECT   20   50
CONECT   21   22   51
CONECT   22   52
CONECT   23   24   24   25
CONECT   25   26   53
CONECT   26   27   27   31
CONECT   27   28   54
CONECT   28   29   29   55
CONECT   29   30   56
CONECT   30   31   31   57
CONECT   32   33   33   34
CONECT   34   58
END

HMDB0039409
     RDKit          3D
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic...
 58 60  0  0  0  0  0  0  0  0999 V2000
    4.3986    1.0759    3.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928    0.2878    2.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0754   -0.4335    3.2429 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1963    0.1208    1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1729    0.9483    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8141    0.6715    0.6679 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929    0.1606   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674   -0.0507   -1.4388 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5104   -0.1113    0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3577   -0.6519   -0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6224   -0.8889   -0.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3581    0.1594   -0.0443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6692   -0.1911    1.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5789    0.5587    1.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    1.5615    2.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1132    2.4068    2.1000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5952    1.2581    1.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7396    1.5464    1.7490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8630    0.2786   -0.1088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1050   -0.9957    0.3474 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651    0.3341   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6018    1.5771   -1.5621 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2521    0.2696   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719    1.4767   -2.1875 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3043   -0.4650   -3.1975 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5651   -1.8095   -2.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1045   -2.8506   -3.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2668   -4.0613   -2.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106   -4.2508   -1.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3646   -3.1753   -0.8503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1891   -1.9494   -1.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5178    2.3715    0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6741    3.1887    0.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7922    2.7961    0.1341 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5760   -1.2590    2.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2113    0.4213    0.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0204   -0.9588    0.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3008    0.7028   -0.8036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5304    0.8653    1.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1109    0.8297    0.5658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5497   -0.8730    0.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899    1.1119   -0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1735   -0.1273    2.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2854    1.0617    3.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7082    2.1137    3.4078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4394    3.3314    2.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1045    2.1462    0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4230    1.8758    1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6897    0.7209   -0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8417   -1.3801   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6341   -0.4420   -1.7201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4363    1.4838   -2.5275 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4919   -0.0732   -4.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4060   -2.7655   -4.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6868   -4.9186   -3.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266   -5.1870   -1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -3.3518    0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2419    3.5087    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  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
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
  5 32  1  0
 32 33  2  0
 32 34  1  0
 31 10  1  0
 21 12  1  0
 31 26  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
  9 41  1  0
 12 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 25 53  1  0
 27 54  1  0
 28 55  1  0
 29 56  1  0
 30 57  1  0
 34 58  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartate	Generator
2-{[1-hydroxy-2-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)ethylidene]amino}butanedioate	HMDB

Chemical Formula

C₂₀H₂₄N₂O₁₂

Average Molecular Weight

484.4108

Monoisotopic Molecular Weight

484.132924242

IUPAC Name

2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1H-indol-3-yl)acetamido]butanedioic acid

Traditional Name

2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetamido]butanedioic acid

CAS Registry Number

99694-85-6

SMILES

OCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O

InChI Identifier

InChI=1S/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,23,27-29H,5-7H2,(H,21,24)(H,22,32)(H,25,26)(H,30,31)

InChI Key

ANAVISFXAGVRIA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Aspartic acid and derivatives

Alternative Parents

Substituents

Aspartic acid or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Indole or derivatives
Dihydroindole
Dicarboxylic acid or derivatives
Monosaccharide
Benzenoid
Oxane
Carboxamide group
Lactam
Secondary carboxylic acid amide
Secondary alcohol
Acetal
Carboxylic acid
Oxacycle
Azacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Primary alcohol
Alcohol
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039409)
Cytoplasm (HMDB: HMDB0039409)

Source

Exogenous

Exogenous (HMDB: HMDB0039409)

Food

Pulse

Pulses (FooDB: FOOD00867)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	16.4 g/L	ALOGPS
logP	-1.3	ALOGPS
logP	-2.8	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	3.12	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	232.18 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	107.42 m³·mol⁻¹	ChemAxon
Polarizability	44.77 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	211.756	31661259
DarkChem	[M-H]-	203.658	31661259
DeepCCS	[M+H]+	199.228	30932474
DeepCCS	[M-H]-	196.832	30932474
DeepCCS	[M-2H]-	229.715	30932474
DeepCCS	[M+Na]+	205.14	30932474
AllCCS	[M+H]+	204.3	32859911
AllCCS	[M+H-H2O]+	202.5	32859911
AllCCS	[M+NH4]+	206.0	32859911
AllCCS	[M+Na]+	206.5	32859911
AllCCS	[M-H]-	203.0	32859911
AllCCS	[M+Na-2H]-	203.5	32859911
AllCCS	[M+HCOO]-	204.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid	OCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O	5221.7	Standard polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid	OCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O	3384.5	Standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid	OCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O	4281.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4141.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #2	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	4117.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21	4135.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #4	C[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O	4120.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C1O	4099.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C1O	4122.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #7	C[Si](C)(C)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)C(CC(=O)O)C(=O)O	4170.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #8	C[Si](C)(C)N1C(=O)C(CC(=O)NC(CC(=O)O)C(=O)O)(OC2OC(CO)C(O)C(O)C2O)C2=CC=CC=C21	4051.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4064.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #10	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O	4059.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #11	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	4018.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #12	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	4078.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #13	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3937.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #14	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21	4060.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #15	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21	4038.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #16	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21	4070.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #17	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	4103.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #18	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3950.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C1O	4086.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4068.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #20	C[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O[Si](C)(C)C	4073.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #21	C[Si](C)(C)OC1C(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O	4111.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #22	C[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)OC(CO)C(O)C1O	3971.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C1O[Si](C)(C)C	4080.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #24	C[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C1O	4093.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #25	C[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C1O	3955.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C1O	4110.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #27	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C1O	3978.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #28	C[Si](C)(C)N1C(=O)C(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)(OC2OC(CO)C(O)C(O)C2O)C2=CC=CC=C21	3969.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	4102.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	4081.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	4093.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4108.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3961.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #8	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	4054.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #9	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	4032.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	3899.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	3973.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3832.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4039.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4059.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	4048.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3886.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4067.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	4036.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3875.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	4045.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3992.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3880.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3887.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #22	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	3971.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #23	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O	3986.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #24	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	3904.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #25	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3976.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #26	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3851.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #27	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O	3959.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #28	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	3886.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #29	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3959.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3966.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #30	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3826.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #31	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	3917.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #32	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3985.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #33	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3849.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #34	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3940.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #35	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C	3818.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #36	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3864.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #37	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21	3978.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #38	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21	3989.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #39	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3991.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3991.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #40	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3861.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #41	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21	3962.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #42	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3975.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #43	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3834.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #44	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	4002.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #45	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3859.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #46	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3875.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #47	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4037.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #48	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C1O	4056.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #49	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C1O	3908.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	3957.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #50	C[Si](C)(C)OC1C(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O[Si](C)(C)C	4041.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #51	C[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)OC(CO)C(O)C1O[Si](C)(C)C	3900.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #52	C[Si](C)(C)OC1C(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)OC(CO)C(O)C1O	3912.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C1O[Si](C)(C)C	4046.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #54	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C1O[Si](C)(C)C	3904.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #55	C[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C1O	3892.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C1O	3912.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3823.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3997.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3968.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3995.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3832.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3913.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3863.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3766.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3870.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3767.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3787.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3887.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3894.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3887.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3783.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3806.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3901.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3875.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3782.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3877.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3782.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3788.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3969.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3952.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3838.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3958.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3824.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3839.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3855.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3966.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3846.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3845.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3848.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #36	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O	3895.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #37	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	3816.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #38	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3885.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #39	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3780.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	3831.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #40	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	3839.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #41	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3899.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #42	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3789.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #43	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3842.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #44	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C	3745.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #45	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3810.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #46	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	3813.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #47	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3884.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #48	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3774.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #49	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3833.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3729.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #50	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C	3736.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #51	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3797.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #52	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3847.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #53	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C	3746.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #54	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3816.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #55	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3776.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #56	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21	3888.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #57	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3898.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #58	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3796.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #59	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3909.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3899.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #60	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3803.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #61	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3815.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #62	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3898.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #63	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3792.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #64	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3806.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #65	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3821.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3974.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #67	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3846.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #68	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C1O	3866.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #69	C[Si](C)(C)OC1C(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)OC(CO)C(O)C1O[Si](C)(C)C	3857.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3903.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C1O[Si](C)(C)C	3863.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3878.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3771.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3743.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	3710.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3805.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3818.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3728.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3826.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3746.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3766.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3828.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3743.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3768.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3744.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3764.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3790.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3825.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3743.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3831.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3761.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3766.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3833.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3753.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3768.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3775.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3761.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3900.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3809.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3829.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3838.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3844.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #36	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C	3719.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #37	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3823.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #38	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O	3742.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #39	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3782.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C(O)C1O	3687.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #40	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C	3702.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #41	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3777.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #42	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3792.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #43	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C	3711.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #44	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3786.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #45	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3733.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #46	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3781.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #47	C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C	3686.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #48	C[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3769.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #49	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3735.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3749.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #50	C[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3732.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #51	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C	3835.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #52	C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21	3756.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #53	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3780.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #54	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3787.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #55	C[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C2=CC=CC=C21)[Si](C)(C)C	3771.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3834.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3778.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C)C1O	3708.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3772.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N([Si](C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C	3692.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4373.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	4403.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21	4398.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O	4379.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C1O	4369.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C1O	4383.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)C(CC(=O)O)C(=O)O	4425.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N1C(=O)C(CC(=O)NC(CC(=O)O)C(=O)O)(OC2OC(CO)C(O)C(O)C2O)C2=CC=CC=C21	4338.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4477.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O	4492.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C(C)(C)C	4469.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4552.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21)C(=O)O	4474.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21	4480.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)NC2=CC=CC=C21	4461.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21	4480.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4542.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21	4467.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C1O	4513.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4456.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4505.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1C(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O	4558.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)OC(CO)C(O)C1O	4478.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C1O[Si](C)(C)C(C)(C)C	4507.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C1O	4550.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C1O	4476.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C1O	4556.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C1O	4482.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N1C(=O)C(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)(OC2OC(CO)C(O)C(O)C2O)C2=CC=CC=C21	4508.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4506.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4489.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4499.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4542.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	4459.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	4498.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	4484.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4517.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4574.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	4533.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4612.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4621.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4627.6	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4570.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4633.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4627.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4582.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4621.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4574.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4565.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	4604.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)NC2=CC=CC=C21)C(=O)O	4577.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O	4583.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C(C)(C)C	4526.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4615.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21)C(=O)O	4556.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O	4567.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C(C)(C)C	4527.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4606.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4570.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21)C(=O)O	4560.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21)C(=O)O[Si](C)(C)C(C)(C)C	4526.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4613.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21)C(=O)O	4558.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4581.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21)C(=O)O[Si](C)(C)C(C)(C)C	4526.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)CC(C(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4624.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)NC2=CC=CC=C21	4561.2	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21	4571.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4608.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4569.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21	4557.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21	4554.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4597.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21	4546.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)NC2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4608.8	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21	4559.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)O)N(C(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)N([Si](C)(C)C(C)(C)C)C2=CC=CC=C21)[Si](C)(C)C(C)(C)C	4619.7	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4610.0	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C1O	4648.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C1O	4595.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)N(C(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O	4583.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4644.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4589.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)OC(CO)C(O)C1O	4617.1	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C1O[Si](C)(C)C(C)(C)C	4646.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C1O[Si](C)(C)C(C)(C)C	4588.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C1O	4621.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)N(C(CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C1O	4629.3	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N([Si](C)(C)C(C)(C)C)C3=CC=CC=C32)C(O)C(O)C1O	4533.5	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4557.9	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4551.4	Semi standard non polar	33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4551.5	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 - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid GC-MS (Non-derivatized) - 70eV, Positive	splash10-0wmi-6705900000-6e76ec4ab6aa4a6f1e03	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid GC-MS (2 TMS) - 70eV, Positive	splash10-03l0-4923137000-78b076065c3798bab957	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 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 - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Positive-QTOF	splash10-066r-0217900000-78be34064b4b1d4ab923	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Positive-QTOF	splash10-0ab9-3669300000-4c16692880a042234862	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Positive-QTOF	splash10-0200-4942000000-d4bf35fe63b916bbd8ba	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Negative-QTOF	splash10-00si-0416900000-5ee3b97fe2deb65d814c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Negative-QTOF	splash10-00fr-2749700000-1fbba24c740127c1b7f1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Negative-QTOF	splash10-01ec-5922000000-60bdd7b73c5aabe82426	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Negative-QTOF	splash10-0019-1101900000-ad81830b9d93f5df30af	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Negative-QTOF	splash10-06y9-5649500000-47a8f143e4dde4973cda	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Negative-QTOF	splash10-004u-7964000000-035ffc3b89fef75af770	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Positive-QTOF	splash10-0a4r-0219700000-01de9b9e106e916f569e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Positive-QTOF	splash10-0006-0934300000-c6fa0023a408cdd6b6bc	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Positive-QTOF	splash10-03mi-4691000000-c31ba47aa279de4a53aa	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB018985

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

25201824

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid (HMDB0039409)

MOL for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

3D MOL for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

3D SDF for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

3D-SDF for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

PDB for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

3D PDB for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

SMILES for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

INCHI for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

Structure for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

3D Structure for HMDB0039409 (N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra