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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:47:05 UTC

Update Date

2022-03-07 02:55:46 UTC

HMDB ID

HMDB0038465

Secondary Accession Numbers

HMDB38465

Metabolite Identification

Common Name

Glyphoside

Description

Glyphoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Glyphoside has been detected, but not quantified in, several different foods, such as herbal tea, black tea, herbs and spices, green tea, and teas (Camellia sinensis). This could make glyphoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glyphoside.

Structure

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


  Mrv0541 02241209502D          

 36 39  0  0  0  0            999 V2000
    2.1426    0.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    3.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1426    2.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    3.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133   -0.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    0.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279   -3.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1426   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -3.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -1.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427    0.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1426   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -1.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  2  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
M  END

HMDB0038465
     RDKit          3D
Glyphoside
 58 61  0  0  0  0  0  0  0  0999 V2000
    2.5605   -4.8063    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162   -3.5812    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -3.7167    1.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898   -2.2999    0.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270   -1.1465    0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883   -0.2160    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.6073   -0.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    0.2443   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    0.3280   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.4538    1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6857   -1.5737    1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9455   -2.2067    2.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8925   -1.7308    3.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -2.3748    4.8484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5795   -0.5978    3.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302   -0.1238    4.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3159    0.0190    2.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0923    1.2006   -0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714    1.9703   -1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1104    2.8563   -1.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    3.6555   -2.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0906    4.5559   -3.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835    3.6064   -3.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135    2.7292   -3.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937    2.7325   -4.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054    1.9335   -2.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0071    1.0663   -2.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091    0.9513   -2.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    0.0010   -1.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    0.2697   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025    1.3859   -1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497    1.0519   -2.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    0.5816    0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    0.5721    0.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -0.4804    1.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9739   -1.3878    2.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -4.6683   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468   -4.9993    0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9091   -5.6935    0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   -1.5191    1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1288    0.7975    0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602   -1.9798    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.0824    2.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6078   -3.2153    5.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0866    0.7044    3.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8891    0.9183    1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9515    2.8922   -0.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0187    5.4907   -2.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    4.2290   -4.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    2.2331   -4.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.6421   -0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    2.3453   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0435    1.5580   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    0.8870   -3.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    1.5872    1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892   -0.3136    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    0.0272    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038   -1.9644    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
  6 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35  5  1  0
 27  8  1  0
 17 10  1  0
 26 19  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  5 40  1  0
  6 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 20 47  1  0
 22 48  1  0
 23 49  1  0
 25 50  1  0
 30 51  1  0
 31 52  1  0
 31 53  1  0
 32 54  1  0
 33 55  1  0
 34 56  1  0
 35 57  1  0
 36 58  1  0
M  END


  Mrv0541 02241209502D          

 36 39  0  0  0  0            999 V2000
    2.1426    0.6178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    3.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1426    2.2670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279    1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    2.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133    3.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133   -0.2068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -0.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    0.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -1.8560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7133   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279   -3.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1426   -2.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -3.0916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279   -0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8573   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5705   -1.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427    0.6191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4279   -1.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1426   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -1.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.8547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559    1.0301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705    0.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 31  2  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 32  2  0  0  0  0
 23 24  2  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038465

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)OC1C(O)C(O)C(CO)OC1OC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C23H22O13/c1-8(25)33-22-19(32)17(30)15(7-24)35-23(22)36-21-18(31)16-13(29)5-10(26)6-14(16)34-20(21)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,22-24,26-30,32H,7H2,1H3

> <INCHI_KEY>
AIHKAQUFJMNPAR-UHFFFAOYSA-N

> <FORMULA>
C23H22O13

> <MOLECULAR_WEIGHT>
506.413

> <EXACT_MASS>
506.10604079

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
47.62606889590238

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

> <ALOGPS_LOGP>
1.47

> <JCHEM_LOGP>
0.2962901143333332

> <ALOGPS_LOGS>
-2.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.45118241176884

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.4339592692798

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981093017036967

> <JCHEM_POLAR_SURFACE_AREA>
212.67

> <JCHEM_REFRACTIVITY>
118.42699999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.28e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038465
     RDKit          3D
Glyphoside
 58 61  0  0  0  0  0  0  0  0999 V2000
    2.5605   -4.8063    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162   -3.5812    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -3.7167    1.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898   -2.2999    0.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270   -1.1465    0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883   -0.2160    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.6073   -0.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    0.2443   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    0.3280   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.4538    1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6857   -1.5737    1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9455   -2.2067    2.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8925   -1.7308    3.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -2.3748    4.8484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5795   -0.5978    3.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302   -0.1238    4.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3159    0.0190    2.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0923    1.2006   -0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714    1.9703   -1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1104    2.8563   -1.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    3.6555   -2.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0906    4.5559   -3.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835    3.6064   -3.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135    2.7292   -3.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937    2.7325   -4.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054    1.9335   -2.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0071    1.0663   -2.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091    0.9513   -2.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    0.0010   -1.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    0.2697   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025    1.3859   -1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497    1.0519   -2.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    0.5816    0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    0.5721    0.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -0.4804    1.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9739   -1.3878    2.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -4.6683   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468   -4.9993    0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9091   -5.6935    0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   -1.5191    1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1288    0.7975    0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602   -1.9798    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.0824    2.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6078   -3.2153    5.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0866    0.7044    3.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8891    0.9183    1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9515    2.8922   -0.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0187    5.4907   -2.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    4.2290   -4.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    2.2331   -4.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.6421   -0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    2.3453   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0435    1.5580   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    0.8870   -3.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    1.5872    1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892   -0.3136    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    0.0272    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038   -1.9644    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
  6 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35  5  1  0
 27  8  1  0
 17 10  1  0
 26 19  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  5 40  1  0
  6 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 20 47  1  0
 22 48  1  0
 23 49  1  0
 25 50  1  0
 30 51  1  0
 31 52  1  0
 31 53  1  0
 32 54  1  0
 33 55  1  0
 34 56  1  0
 35 57  1  0
 36 58  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  O   UNK     0       4.000   1.153   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.665   1.923   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.331   1.153   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -0.000   1.923   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.000   3.462   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   4.232   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -1.334   5.771   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       4.000   4.232   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.665   3.462   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.331   4.232   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       1.331   5.771   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       1.331  -0.386   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -0.000  -1.156   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -0.386   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -1.334   1.156   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -1.334  -3.465   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -0.000  -2.695   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.331  -3.462   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.331  -5.001   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.665  -5.771   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.000  -5.001   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       5.331  -5.771   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -5.334  -1.153   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.000  -0.383   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.665  -1.153   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.665  -2.692   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.000  -3.462   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.334  -2.692   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -6.665  -3.462   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -4.000   1.156   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       2.665  -2.692   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.000  -3.462   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       5.331  -2.692   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.331   3.462   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       5.331   1.923   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.665   1.153   0.000  0.00  0.00           C+0
CONECT    1    2   35                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6                                                            
CONECT    8    9                                                            
CONECT    9    2    8   10                                                  
CONECT   10    5    9   11                                                  
CONECT   11   10                                                            
CONECT   12    3   13                                                       
CONECT   13   12   14   17                                                  
CONECT   14   13   15   25                                                  
CONECT   15   14                                                            
CONECT   16   17   26                                                       
CONECT   17   13   16   18                                                  
CONECT   18   17   19   31                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   32                                                  
CONECT   22   21                                                            
CONECT   23   24   28                                                       
CONECT   24   23   25   30                                                  
CONECT   25   14   24   26                                                  
CONECT   26   16   25   27                                                  
CONECT   27   26   28                                                       
CONECT   28   23   27   29                                                  
CONECT   29   28                                                            
CONECT   30   24                                                            
CONECT   31   18   32                                                       
CONECT   32   21   31   33                                                  
CONECT   33   32                                                            
CONECT   34   35                                                            
CONECT   35    1   34   36                                                  
CONECT   36   35                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

COMPND    HMDB0038465
HETATM    1  C1  UNL     1       2.561  -4.806   0.027  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.016  -3.581   0.658  1.00  0.00           C  
HETATM    3  O1  UNL     1       1.156  -3.717   1.570  1.00  0.00           O  
HETATM    4  O2  UNL     1       2.390  -2.300   0.311  1.00  0.00           O  
HETATM    5  C3  UNL     1       1.827  -1.147   0.959  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.188  -0.216   0.020  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.002  -0.607  -0.627  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.057   0.244  -0.871  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.131   0.328  -0.054  1.00  0.00           C  
HETATM   10  C7  UNL     1      -2.357  -0.454   1.168  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.686  -1.574   1.534  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.946  -2.207   2.749  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.893  -1.731   3.637  1.00  0.00           C  
HETATM   14  O4  UNL     1      -3.140  -2.375   4.848  1.00  0.00           O  
HETATM   15  C11 UNL     1      -3.579  -0.598   3.276  1.00  0.00           C  
HETATM   16  O5  UNL     1      -4.530  -0.124   4.171  1.00  0.00           O  
HETATM   17  C12 UNL     1      -3.316   0.019   2.076  1.00  0.00           C  
HETATM   18  O6  UNL     1      -3.092   1.201  -0.375  1.00  0.00           O  
HETATM   19  C13 UNL     1      -3.071   1.970  -1.413  1.00  0.00           C  
HETATM   20  C14 UNL     1      -4.110   2.856  -1.682  1.00  0.00           C  
HETATM   21  C15 UNL     1      -4.045   3.655  -2.797  1.00  0.00           C  
HETATM   22  O7  UNL     1      -5.091   4.556  -3.080  1.00  0.00           O  
HETATM   23  C16 UNL     1      -2.984   3.606  -3.656  1.00  0.00           C  
HETATM   24  C17 UNL     1      -1.913   2.729  -3.426  1.00  0.00           C  
HETATM   25  O8  UNL     1      -0.894   2.732  -4.317  1.00  0.00           O  
HETATM   26  C18 UNL     1      -2.005   1.933  -2.292  1.00  0.00           C  
HETATM   27  C19 UNL     1      -1.007   1.066  -2.008  1.00  0.00           C  
HETATM   28  O9  UNL     1       0.009   0.951  -2.740  1.00  0.00           O  
HETATM   29  O10 UNL     1       2.085   0.001  -1.061  1.00  0.00           O  
HETATM   30  C20 UNL     1       3.346   0.270  -0.693  1.00  0.00           C  
HETATM   31  C21 UNL     1       4.002   1.386  -1.511  1.00  0.00           C  
HETATM   32  O11 UNL     1       4.050   1.052  -2.860  1.00  0.00           O  
HETATM   33  C22 UNL     1       3.608   0.582   0.758  1.00  0.00           C  
HETATM   34  O12 UNL     1       4.985   0.572   0.978  1.00  0.00           O  
HETATM   35  C23 UNL     1       3.013  -0.480   1.659  1.00  0.00           C  
HETATM   36  O13 UNL     1       3.974  -1.388   2.063  1.00  0.00           O  
HETATM   37  H1  UNL     1       2.683  -4.668  -1.055  1.00  0.00           H  
HETATM   38  H2  UNL     1       3.547  -4.999   0.542  1.00  0.00           H  
HETATM   39  H3  UNL     1       1.909  -5.694   0.237  1.00  0.00           H  
HETATM   40  H4  UNL     1       1.116  -1.519   1.708  1.00  0.00           H  
HETATM   41  H5  UNL     1       1.129   0.797   0.488  1.00  0.00           H  
HETATM   42  H6  UNL     1      -0.960  -1.980   0.844  1.00  0.00           H  
HETATM   43  H7  UNL     1      -1.396  -3.082   2.998  1.00  0.00           H  
HETATM   44  H8  UNL     1      -2.608  -3.215   5.078  1.00  0.00           H  
HETATM   45  H9  UNL     1      -5.087   0.704   3.990  1.00  0.00           H  
HETATM   46  H10 UNL     1      -3.889   0.918   1.834  1.00  0.00           H  
HETATM   47  H11 UNL     1      -4.952   2.892  -0.998  1.00  0.00           H  
HETATM   48  H12 UNL     1      -5.019   5.491  -2.691  1.00  0.00           H  
HETATM   49  H13 UNL     1      -2.908   4.229  -4.545  1.00  0.00           H  
HETATM   50  H14 UNL     1      -0.078   2.233  -4.369  1.00  0.00           H  
HETATM   51  H15 UNL     1       3.967  -0.642  -0.975  1.00  0.00           H  
HETATM   52  H16 UNL     1       3.463   2.345  -1.408  1.00  0.00           H  
HETATM   53  H17 UNL     1       5.043   1.558  -1.180  1.00  0.00           H  
HETATM   54  H18 UNL     1       3.124   0.887  -3.224  1.00  0.00           H  
HETATM   55  H19 UNL     1       3.246   1.587   1.045  1.00  0.00           H  
HETATM   56  H20 UNL     1       5.389  -0.314   0.789  1.00  0.00           H  
HETATM   57  H21 UNL     1       2.611   0.027   2.547  1.00  0.00           H  
HETATM   58  H22 UNL     1       4.304  -1.964   1.345  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6   35   40
CONECT    6    7   29   41
CONECT    7    8
CONECT    8    9    9   27
CONECT    9   10   18
CONECT   10   11   11   17
CONECT   11   12   42
CONECT   12   13   13   43
CONECT   13   14   15
CONECT   14   44
CONECT   15   16   17   17
CONECT   16   45
CONECT   17   46
CONECT   18   19
CONECT   19   20   20   26
CONECT   20   21   47
CONECT   21   22   23   23
CONECT   22   48
CONECT   23   24   49
CONECT   24   25   26   26
CONECT   25   50
CONECT   26   27
CONECT   27   28   28
CONECT   29   30
CONECT   30   31   33   51
CONECT   31   32   52   53
CONECT   32   54
CONECT   33   34   35   55
CONECT   34   56
CONECT   35   36   57
CONECT   36   58
END

HMDB0038465
     RDKit          3D
Glyphoside
 58 61  0  0  0  0  0  0  0  0999 V2000
    2.5605   -4.8063    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162   -3.5812    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1561   -3.7167    1.5700 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898   -2.2999    0.3111 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8270   -1.1465    0.9588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883   -0.2160    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0025   -0.6073   -0.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    0.2443   -0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1308    0.3280   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3569   -0.4538    1.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6857   -1.5737    1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9455   -2.2067    2.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8925   -1.7308    3.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1403   -2.3748    4.8484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5795   -0.5978    3.2765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5302   -0.1238    4.1705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3159    0.0190    2.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0923    1.2006   -0.3751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0714    1.9703   -1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1104    2.8563   -1.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448    3.6555   -2.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0906    4.5559   -3.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835    3.6064   -3.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9135    2.7292   -3.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8937    2.7325   -4.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0054    1.9335   -2.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0071    1.0663   -2.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0091    0.9513   -2.7401 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0847    0.0010   -1.0613 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3462    0.2697   -0.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0025    1.3859   -1.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0497    1.0519   -2.8599 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077    0.5816    0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9851    0.5721    0.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0128   -0.4804    1.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9739   -1.3878    2.0632 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -4.6683   -1.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5468   -4.9993    0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9091   -5.6935    0.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1165   -1.5191    1.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1288    0.7975    0.4882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9602   -1.9798    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3958   -3.0824    2.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6078   -3.2153    5.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0866    0.7044    3.9905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8891    0.9183    1.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9515    2.8922   -0.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0187    5.4907   -2.6907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    4.2290   -4.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    2.2331   -4.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9668   -0.6421   -0.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    2.3453   -1.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0435    1.5580   -1.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1244    0.8870   -3.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2456    1.5872    1.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3892   -0.3136    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106    0.0272    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3038   -1.9644    1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
  6 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35  5  1  0
 27  8  1  0
 17 10  1  0
 26 19  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  5 40  1  0
  6 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 20 47  1  0
 22 48  1  0
 23 49  1  0
 25 50  1  0
 30 51  1  0
 31 52  1  0
 31 53  1  0
 32 54  1  0
 33 55  1  0
 34 56  1  0
 35 57  1  0
 36 58  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetic acid	HMDB

Chemical Formula

C₂₃H₂₂O₁₃

Average Molecular Weight

506.413

Monoisotopic Molecular Weight

506.10604079

IUPAC Name

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

Traditional Name

2-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl acetate

CAS Registry Number

11029-60-0

SMILES

CC(=O)OC1C(O)C(O)C(CO)OC1OC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1

InChI Identifier

InChI=1S/C23H22O13/c1-8(25)33-22-19(32)17(30)15(7-24)35-23(22)36-21-18(31)16-13(29)5-10(26)6-14(16)34-20(21)9-2-3-11(27)12(28)4-9/h2-6,15,17,19,22-24,26-30,32H,7H2,1H3

InChI Key

AIHKAQUFJMNPAR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Catechol
1-hydroxy-2-unsubstituted benzenoid
Pyranone
1-hydroxy-4-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Pyran
Monosaccharide
Oxane
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Carboxylic acid ester
Acetal
Monocarboxylic acid or derivatives
Oxacycle
Carboxylic acid derivative
Organoheterocyclic compound
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Organic oxide
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Herbs and Spices (FooDB: FOOD00866)

Beverage

Alcoholic beverage

Alcoholic beverages (FooDB: FOOD00854)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	6682 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.28 g/L	ALOGPS
logP	1.47	ALOGPS
logP	0.3	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	212.67 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	118.43 m³·mol⁻¹	ChemAxon
Polarizability	47.63 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	204.312	30932474
DeepCCS	[M-H]-	201.916	30932474
DeepCCS	[M-2H]-	234.799	30932474
DeepCCS	[M+Na]+	210.548	30932474
AllCCS	[M+H]+	213.1	32859911
AllCCS	[M+H-H2O]+	211.0	32859911
AllCCS	[M+NH4]+	215.0	32859911
AllCCS	[M+Na]+	215.5	32859911
AllCCS	[M-H]-	212.0	32859911
AllCCS	[M+Na-2H]-	212.7	32859911
AllCCS	[M+HCOO]-	213.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glyphoside	CC(=O)OC1C(O)C(O)C(CO)OC1OC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1	6021.5	Standard polar	33892256
Glyphoside	CC(=O)OC1C(O)C(O)C(CO)OC1OC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1	4365.9	Standard non polar	33892256
Glyphoside	CC(=O)OC1C(O)C(O)C(CO)OC1OC1=C(OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C=C1	4639.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glyphoside,1TMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4476.4	Semi standard non polar	33892256
Glyphoside,1TMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4462.4	Semi standard non polar	33892256
Glyphoside,1TMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4470.5	Semi standard non polar	33892256
Glyphoside,1TMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4456.1	Semi standard non polar	33892256
Glyphoside,1TMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4497.0	Semi standard non polar	33892256
Glyphoside,1TMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4449.5	Semi standard non polar	33892256
Glyphoside,1TMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4469.8	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4327.1	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #10	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4340.6	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #11	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4429.6	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #12	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4351.3	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #13	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4334.4	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #14	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4381.0	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #15	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4355.8	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #16	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4301.4	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #17	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4280.9	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #18	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4318.8	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #19	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4326.3	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4303.7	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #20	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4308.1	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #21	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4311.2	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4365.6	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4341.0	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4392.4	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4372.3	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4323.0	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #8	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4301.5	Semi standard non polar	33892256
Glyphoside,2TMS,isomer #9	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4361.8	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4230.6	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #10	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4230.8	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #11	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4307.5	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #12	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4298.3	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #13	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4285.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #14	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4266.9	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #15	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4383.9	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #16	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4239.9	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #17	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4211.5	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #18	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4186.4	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #19	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4310.8	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4211.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #20	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4199.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #21	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4169.2	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #22	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4297.9	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #23	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4235.5	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #24	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4350.6	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #25	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4336.3	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #26	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4252.6	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #27	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4235.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #28	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4214.9	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #29	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4224.4	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4184.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #30	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4198.2	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #31	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4260.4	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #32	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4198.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #33	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4187.6	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #34	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4174.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #35	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4233.9	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4260.6	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4246.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4196.6	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4165.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #8	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4249.1	Semi standard non polar	33892256
Glyphoside,3TMS,isomer #9	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4231.7	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4162.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #10	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4248.7	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #11	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4111.9	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #12	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4160.3	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #13	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4148.0	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #14	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4127.0	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #15	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4111.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #16	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4234.2	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #17	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4194.3	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #18	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4186.7	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #19	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4302.7	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4124.1	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #20	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4273.1	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #21	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4173.5	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #22	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4139.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #23	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4242.4	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #24	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4121.3	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #25	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4204.1	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #26	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4179.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #27	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4117.7	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #28	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4192.2	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #29	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4162.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4206.4	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #30	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4235.2	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #31	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4191.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #32	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4156.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #33	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4137.1	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #34	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4127.6	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #35	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4142.1	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4195.0	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4118.3	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4171.2	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4161.9	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #8	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4141.8	Semi standard non polar	33892256
Glyphoside,4TMS,isomer #9	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4129.2	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	4086.4	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #10	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4125.5	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #11	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4101.7	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #12	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4069.3	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #13	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4140.7	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #14	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4108.7	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #15	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4158.6	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #16	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O	4106.5	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #17	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4165.8	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #18	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4130.8	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #19	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4126.6	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4133.1	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #20	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4120.7	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #21	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O	4107.5	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4136.2	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4097.8	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4102.4	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4207.3	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4108.6	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #8	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4074.5	Semi standard non polar	33892256
Glyphoside,5TMS,isomer #9	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4154.2	Semi standard non polar	33892256
Glyphoside,1TBDMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4711.7	Semi standard non polar	33892256
Glyphoside,1TBDMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4701.1	Semi standard non polar	33892256
Glyphoside,1TBDMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4695.5	Semi standard non polar	33892256
Glyphoside,1TBDMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4677.4	Semi standard non polar	33892256
Glyphoside,1TBDMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4712.7	Semi standard non polar	33892256
Glyphoside,1TBDMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4659.6	Semi standard non polar	33892256
Glyphoside,1TBDMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4692.7	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4751.1	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #10	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4756.5	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #11	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4831.6	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #12	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4781.1	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #13	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4753.0	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #14	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4812.9	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #15	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4774.2	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #16	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4757.4	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #17	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4726.1	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #18	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4769.5	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #19	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4795.4	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4724.1	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #20	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4763.1	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #21	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4742.4	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4789.3	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4750.9	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4807.9	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4774.3	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4755.9	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #8	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4729.6	Semi standard non polar	33892256
Glyphoside,2TBDMS,isomer #9	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4791.8	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #1	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4833.5	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #10	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4849.0	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #11	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4906.2	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #12	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4870.6	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #13	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4866.7	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #14	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4835.2	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #15	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4931.5	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #16	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4832.9	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #17	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4874.8	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #18	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4840.9	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #19	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4890.3	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #2	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4879.4	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #20	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4839.2	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #21	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4802.9	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #22	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4865.0	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #23	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O	4844.0	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #24	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4931.7	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #25	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4895.3	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #26	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4853.2	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #27	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4878.8	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #28	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4845.5	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #29	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4846.9	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #3	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4846.0	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #30	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4809.5	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #31	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O	4862.4	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #32	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4840.1	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #33	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4896.7	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #34	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O	4856.5	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #35	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O	4875.0	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #4	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4868.9	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #5	CC(=O)OC1C(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4838.8	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #6	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4843.3	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #7	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	4809.0	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #8	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4843.3	Semi standard non polar	33892256
Glyphoside,3TBDMS,isomer #9	CC(=O)OC1C(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4812.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glyphoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0aba-9211500000-9c38c9c3cfaf4d98b9c3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glyphoside GC-MS (2 TMS) - 70eV, Positive	splash10-000l-9220024000-54a4f6160b1b6e0d8e23	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 10V, Positive-QTOF	splash10-0udi-1139730000-5f47221602519551414a	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 20V, Positive-QTOF	splash10-0udi-0159200000-43f5cbb3ea57d6bbc1c2	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 40V, Positive-QTOF	splash10-0udr-2963000000-a6e2b3ba887e42531c0d	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 10V, Negative-QTOF	splash10-0a4i-8228960000-1bbdc15eeb35c1648803	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 20V, Negative-QTOF	splash10-0pb9-9247300000-93409e682f036698277d	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 40V, Negative-QTOF	splash10-0a4i-9221000000-9e2cd85e54b767c0ed71	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 10V, Negative-QTOF	splash10-0a4i-0000090000-9c372364828e1e036170	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 20V, Negative-QTOF	splash10-0pb9-0005090000-24b8b64d450ad1a64794	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 40V, Negative-QTOF	splash10-0udi-0019010000-a26850d0977d84a765cf	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 10V, Positive-QTOF	splash10-0udi-0009020000-6f422989e97c37eb5efc	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 20V, Positive-QTOF	splash10-14i0-0009090000-bb0e9e847f0a7d659154	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glyphoside 40V, Positive-QTOF	splash10-0udi-0009000000-58b2754f892c40f07699	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017824

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74978233

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1868501

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Glyphoside (HMDB0038465)

MOL for HMDB0038465 (Glyphoside)

3D MOL for HMDB0038465 (Glyphoside)

3D SDF for HMDB0038465 (Glyphoside)

3D-SDF for HMDB0038465 (Glyphoside)

PDB for HMDB0038465 (Glyphoside)

3D PDB for HMDB0038465 (Glyphoside)

SMILES for HMDB0038465 (Glyphoside)

INCHI for HMDB0038465 (Glyphoside)

Structure for HMDB0038465 (Glyphoside)

3D Structure for HMDB0038465 (Glyphoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra