Hmdb loader

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

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:51:22 UTC
Update Date2022-03-07 02:56:11 UTC
HMDB IDHMDB0039409
Secondary Accession Numbers
  • HMDB39409
Metabolite Identification
Common NameN-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid
DescriptionN-[[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
Data?1563863370
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

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


  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
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  8 27  1  0  0  0  0
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 29 31  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
Download

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

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
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   -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
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   -0.2521    0.2696   -2.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
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    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
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    6.5760   -1.2590    2.9417 H   0  0  0  0  0  0  0  0  0  0  0  0
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  5 32  1  0
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 31 10  1  0
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 31 26  1  0
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 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
Download

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


  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
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    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
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   -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
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   -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
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  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
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  8 27  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
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 24 25  2  0  0  0  0
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 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

$$$$
Download

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

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
Download

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

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
Download

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

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

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)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartateGenerator
2-{[1-hydroxy-2-(2-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3H-indol-3-yl)ethylidene]amino}butanedioateHMDB
Chemical FormulaC20H24N2O12
Average Molecular Weight484.4108
Monoisotopic Molecular Weight484.132924242
IUPAC Name2-[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 Name2-[2-(2-oxo-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H-indol-3-yl)acetamido]butanedioic acid
CAS Registry Number99694-85-6
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 KeyANAVISFXAGVRIA-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAspartic 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 FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility16.4 g/LALOGPS
logP-1.3ALOGPS
logP-2.8ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)3.12ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area232.18 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity107.42 m³·mol⁻¹ChemAxon
Polarizability44.77 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+211.75631661259
DarkChem[M-H]-203.65831661259
DeepCCS[M+H]+199.22830932474
DeepCCS[M-H]-196.83230932474
DeepCCS[M-2H]-229.71530932474
DeepCCS[M+Na]+205.1430932474
AllCCS[M+H]+204.332859911
AllCCS[M+H-H2O]+202.532859911
AllCCS[M+NH4]+206.032859911
AllCCS[M+Na]+206.532859911
AllCCS[M-H]-203.032859911
AllCCS[M+Na-2H]-203.532859911
AllCCS[M+HCOO]-204.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acidOCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O5221.7Standard polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acidOCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O3384.5Standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acidOCC1OC(OC2(CC(=O)NC(CC(O)=O)C(O)=O)C(=O)NC3=C2C=CC=C3)C(O)C(O)C1O4281.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #1C[Si](C)(C)OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C(O)C1O4141.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)CC(NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C21)C(=O)O4117.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #3C[Si](C)(C)OC(=O)C(CC(=O)O)NC(=O)CC1(OC2OC(CO)C(O)C(O)C2O)C(=O)NC2=CC=CC=C214135.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #4C[Si](C)(C)OC1C(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)OC(CO)C(O)C1O4120.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #5C[Si](C)(C)OC1C(O)C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C1O4099.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #6C[Si](C)(C)OC1C(CO)OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)NC3=CC=CC=C32)C(O)C1O4122.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #7C[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)O4170.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TMS,isomer #8C[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=C214051.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #1C[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)C1O4064.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #10C[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)O4059.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #11C[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)C4018.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #12C[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)C4078.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #13C[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)O3937.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #14C[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=C214060.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #15C[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=C214038.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #16C[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=C214070.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #17C[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)C4103.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #18C[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=C213950.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #19C[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)C1O4086.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #2C[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)C1O4068.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #20C[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)C4073.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #21C[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)C1O4111.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #22C[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)C1O3971.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #23C[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)C4080.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #24C[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)C1O4093.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #25C[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)C1O3955.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #26C[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)C1O4110.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #27C[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)C1O3978.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #28C[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=C213969.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #3C[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)C1O4102.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #4C[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)C1O4081.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #5C[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)C4093.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #6C[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)C1O4108.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #7C[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)C1O3961.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #8C[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)O4054.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TMS,isomer #9C[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)O4032.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #1C[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)C1O3899.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #10C[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)C1O3973.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #11C[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)C1O3832.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #12C[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)C1O4039.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #13C[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)C4059.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #14C[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)C1O4048.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #15C[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)C1O3886.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #16C[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)C4067.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #17C[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)C1O4036.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #18C[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)C1O3875.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #19C[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)C4045.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #2C[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)C1O3992.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #20C[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)C3880.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #21C[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)C1O3887.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #22C[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)O3971.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #23C[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)O3986.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #24C[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)C3904.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #25C[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)C3976.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #26C[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)O3851.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #27C[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)O3959.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #28C[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)C3886.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #29C[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)C3959.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #3C[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)C1O3966.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #30C[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)O3826.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #31C[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)C3917.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #32C[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)C3985.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #33C[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)O3849.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #34C[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)C3940.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #35C[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)C3818.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #36C[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)C3864.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #37C[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=C213978.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #38C[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=C213989.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #39C[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)C3991.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #4C[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)C3991.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #40C[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=C213861.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #41C[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=C213962.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #42C[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)C3975.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #43C[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=C213834.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #44C[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)C4002.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #45C[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=C213859.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #46C[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)C3875.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #47C[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)C4037.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #48C[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)C1O4056.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #49C[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)C1O3908.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #5C[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)C1O3957.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #50C[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)C4041.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #51C[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)C3900.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #52C[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)C1O3912.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #53C[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)C4046.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #54C[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)C3904.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #55C[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)C1O3892.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #56C[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)C1O3912.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #6C[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)C1O3823.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #7C[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)C1O3997.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #8C[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)C1O3968.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TMS,isomer #9C[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)C3995.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #1C[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)C1O3832.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #10C[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)C3913.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #11C[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)C1O3863.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #12C[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)C1O3766.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #13C[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)C3870.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #14C[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)C3767.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #15C[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)C1O3787.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #16C[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)C1O3887.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #17C[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)C3894.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #18C[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)C1O3887.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #19C[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)C1O3783.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #2C[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)C1O3806.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #20C[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)C3901.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #21C[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)C1O3875.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #22C[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)C1O3782.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #23C[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)C3877.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #24C[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)C3782.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #25C[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)C1O3788.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #26C[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)C3969.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #27C[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)C1O3952.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #28C[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)C1O3838.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #29C[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)C3958.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #3C[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)C3824.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #30C[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)C3839.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #31C[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)C1O3855.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #32C[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)C3966.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #33C[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)C3846.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #34C[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)C1O3845.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #35C[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)C3848.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #36C[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)O3895.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #37C[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)C3816.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #38C[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)C3885.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #39C[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)O3780.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #4C[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)C1O3831.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #40C[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)C3839.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #41C[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)C3899.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #42C[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)O3789.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #43C[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)C3842.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #44C[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)C3745.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #45C[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)C3810.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #46C[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)C3813.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #47C[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)C3884.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #48C[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)O3774.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #49C[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)C3833.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #5C[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)C1O3729.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #50C[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)C3736.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #51C[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)C3797.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #52C[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)C3847.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #53C[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)C3746.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #54C[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)C3816.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #55C[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)C3776.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #56C[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=C213888.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #57C[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)C3898.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #58C[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=C213796.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #59C[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)C3909.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #6C[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)C1O3899.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #60C[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=C213803.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #61C[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)C3815.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #62C[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)C3898.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #63C[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=C213792.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #64C[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)C3806.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #65C[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)C3821.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #66C[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)C3974.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #67C[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)C3846.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #68C[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)C1O3866.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #69C[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)C3857.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #7C[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)C3903.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #70C[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)C3863.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #8C[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)C1O3878.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,4TMS,isomer #9C[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)C1O3771.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #1C[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)C1O3743.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #10C[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)C1O3710.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #11C[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)C3805.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #12C[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)C1O3818.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #13C[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)C1O3728.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #14C[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)C3826.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #15C[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)C3746.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #16C[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)C1O3766.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #17C[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)C3828.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #18C[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)C3743.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #19C[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)C1O3768.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #2C[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)C3744.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #20C[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)C3764.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #21C[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)C3790.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #22C[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)C1O3825.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #23C[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)C1O3743.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #24C[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)C3831.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #25C[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)C3761.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #26C[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)C1O3766.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #27C[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)C3833.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #28C[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)C3753.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #29C[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)C1O3768.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #3C[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)C1O3775.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #30C[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)C3761.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #31C[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)C3900.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #32C[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)C3809.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #33C[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)C1O3829.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #34C[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)C3838.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #35C[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)C3844.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #36C[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)C3719.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #37C[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)C3823.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #38C[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)O3742.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #39C[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)C3782.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #4C[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)C1O3687.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #40C[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)C3702.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #41C[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)C3777.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #42C[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)C3792.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #43C[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)C3711.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #44C[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)C3786.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #45C[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)C3733.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #46C[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)C3781.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #47C[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)C3686.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #48C[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)C3769.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #49C[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)C3735.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #5C[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)C3749.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #50C[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)C3732.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #51C[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)C3835.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #52C[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=C213756.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #53C[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)C3780.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #54C[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)C3787.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #55C[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)C3771.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #56C[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)C3834.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #6C[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)C1O3778.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #7C[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)C1O3708.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #8C[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)C3772.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,5TMS,isomer #9C[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)C3692.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #1CC(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)C1O4373.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #2CC(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)O4403.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #3CC(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=C214398.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #4CC(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)C1O4379.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #5CC(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)C1O4369.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #6CC(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)C1O4383.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #7CC(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)O4425.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,1TBDMS,isomer #8CC(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=C214338.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #1CC(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)C1O4477.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #10CC(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)O4492.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #11CC(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)C4469.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #12CC(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)C4552.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #13CC(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)O4474.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #14CC(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=C214480.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #15CC(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=C214461.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #16CC(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=C214480.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #17CC(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)C4542.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #18CC(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=C214467.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #19CC(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)C1O4513.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #2CC(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)C1O4456.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #20CC(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)C4505.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #21CC(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)C1O4558.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #22CC(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)C1O4478.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #23CC(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)C4507.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #24CC(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)C1O4550.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #25CC(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)C1O4476.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #26CC(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)C1O4556.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #27CC(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)C1O4482.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #28CC(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=C214508.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #3CC(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)C1O4506.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #4CC(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)C1O4489.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #5CC(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)C4499.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #6CC(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)C1O4542.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #7CC(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)C1O4459.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #8CC(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)O4498.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,2TBDMS,isomer #9CC(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)O4484.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #1CC(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)C1O4517.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #10CC(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)C1O4574.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #11CC(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)C1O4533.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #12CC(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)C1O4612.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #13CC(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)C4621.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #14CC(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)C1O4627.6Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #15CC(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)C1O4570.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #16CC(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)C4633.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #17CC(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)C1O4627.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #18CC(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)C1O4582.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #19CC(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)C4621.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #2CC(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)C1O4574.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #20CC(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)C4565.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #21CC(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)C1O4604.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #22CC(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)O4577.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #23CC(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)O4583.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #24CC(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)C4526.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #25CC(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)C4615.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #26CC(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)O4556.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #27CC(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)O4567.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #28CC(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)C4527.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #29CC(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)C4606.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #3CC(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)C1O4570.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #30CC(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)O4560.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #31CC(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)C4526.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #32CC(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)C4613.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #33CC(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)O4558.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #34CC(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)C4581.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #35CC(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)C4526.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #36CC(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)C4624.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #37CC(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=C214561.2Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #38CC(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=C214571.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #39CC(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)C4608.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #4CC(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)C4569.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #40CC(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=C214557.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #41CC(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=C214554.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #42CC(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)C4597.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #43CC(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=C214546.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #44CC(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)C4608.8Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #45CC(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=C214559.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #46CC(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)C4619.7Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #47CC(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)C4610.0Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #48CC(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)C1O4648.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #49CC(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)C1O4595.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #5CC(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)C1O4583.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #50CC(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)C4644.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #51CC(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)C4589.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #52CC(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)C1O4617.1Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #53CC(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)C4646.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #54CC(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)C4588.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #55CC(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)C1O4621.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #56CC(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)C1O4629.3Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #6CC(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)C1O4533.5Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #7CC(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)C1O4557.9Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #8CC(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)C1O4551.4Semi standard non polar33892256
N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid,3TBDMS,isomer #9CC(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)C4551.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted 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, Positivesplash10-0wmi-6705900000-6e76ec4ab6aa4a6f1e032017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted 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, Positivesplash10-03l0-4923137000-78b076065c3798bab9572017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted 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, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Positive-QTOFsplash10-066r-0217900000-78be34064b4b1d4ab9232017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Positive-QTOFsplash10-0ab9-3669300000-4c16692880a0422348622017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Positive-QTOFsplash10-0200-4942000000-d4bf35fe63b916bbd8ba2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Negative-QTOFsplash10-00si-0416900000-5ee3b97fe2deb65d814c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Negative-QTOFsplash10-00fr-2749700000-1fbba24c740127c1b7f12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Negative-QTOFsplash10-01ec-5922000000-60bdd7b73c5aabe824262017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Negative-QTOFsplash10-0019-1101900000-ad81830b9d93f5df30af2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Negative-QTOFsplash10-06y9-5649500000-47a8f143e4dde4973cda2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Negative-QTOFsplash10-004u-7964000000-035ffc3b89fef75af7702021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 10V, Positive-QTOFsplash10-0a4r-0219700000-01de9b9e106e916f569e2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 20V, Positive-QTOFsplash10-0006-0934300000-c6fa0023a408cdd6b6bc2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic acid 40V, Positive-QTOFsplash10-03mi-4691000000-c31ba47aa279de4a53aa2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018985
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25201824
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .