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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:54:20 UTC

Update Date

2022-03-07 02:56:56 UTC

HMDB ID

HMDB0041238

Secondary Accession Numbers

HMDB41238

Metabolite Identification

Common Name

Loquatoside

Description

Loquatoside belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Loquatoside has been detected, but not quantified in, fruits and loquats (Eriobotrya japonica). This could make loquatoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Loquatoside.

Structure

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

  Mrv0541 05061312302D          

 31 34  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29  6  1  0  0  0  0
 29 20  1  0  0  0  0
 30 13  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 31 20  1  0  0  0  0
M  END

HMDB0041238
     RDKit          3D
Loquatoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -4.9306   -4.4524   -1.6996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003   -3.8645   -0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -4.6230   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151   -4.0443    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599   -4.7927    1.2339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -2.6541    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493   -1.8821   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6777   -2.5108   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550   -0.5218   -0.3882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6035    0.1073    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094    1.5260    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271    2.5249    1.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    3.8590    0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    4.2343   -0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797    5.5722   -0.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331    3.2498   -1.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326    3.6335   -2.7159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059    1.9175   -1.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519   -0.6616    0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610   -0.6010   -0.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -0.0555    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -1.0915    0.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9992   -0.7536    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    0.6680    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850    1.5064    1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509    1.1602   -1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745    0.4390   -2.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.0967   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    2.2833   -0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -2.0733    1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617   -2.1797    2.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606   -4.5971   -1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -5.7126   -0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611   -5.7918    1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254   -1.8631   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564    0.1144    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5861    2.2301    2.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    4.6256    1.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044    6.2517   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021    4.6023   -2.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778    1.1913   -1.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -0.2163    1.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987    0.2119    1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314   -1.3894   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -1.0856    1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4399    0.7105   -0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195    1.9807    1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095    2.2106   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1929   -0.4428   -2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147    1.1517   -1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084    3.0156   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805   -2.7472    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -1.4665    3.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 19 30  1  0
 30 31  1  0
  8  2  1  0
 18 11  1  0
 28 21  1  0
 30  6  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  0
  8 35  1  0
 10 36  1  0
 12 37  1  0
 13 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 21 43  1  0
 23 44  1  0
 23 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 30 52  1  0
 31 53  1  0
M  END

  Mrv0541 05061312302D          

 31 34  0  0  0  0            999 V2000
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  7  1  1  0  0  0  0
  7  3  2  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  9  2  0  0  0  0
 11  4  1  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 12  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18  7  1  0  0  0  0
 19 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21  8  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 12  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  1  0  0  0  0
 28 17  1  0  0  0  0
 29  6  1  0  0  0  0
 29 20  1  0  0  0  0
 30 13  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 31 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041238

> <DATABASE_NAME>
hmdb

> <SMILES>
OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C20H22O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15-28H,6H2

> <INCHI_KEY>
YISJRMFABYGQSX-UHFFFAOYSA-N

> <FORMULA>
C20H22O11

> <MOLECULAR_WEIGHT>
438.3821

> <EXACT_MASS>
438.116211546

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
41.8853182987407

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-(3,4-dihydroxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4,5,7-triol

> <ALOGPS_LOGP>
-0.07

> <JCHEM_LOGP>
-0.2643898353333335

> <ALOGPS_LOGS>
-1.99

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.546924467365715

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.950335417393838

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580667211041

> <JCHEM_POLAR_SURFACE_AREA>
189.52999999999997

> <JCHEM_REFRACTIVITY>
101.658

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.50e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(3,4-dihydroxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4,5,7-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041238
     RDKit          3D
Loquatoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -4.9306   -4.4524   -1.6996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003   -3.8645   -0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -4.6230   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151   -4.0443    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599   -4.7927    1.2339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -2.6541    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493   -1.8821   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6777   -2.5108   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550   -0.5218   -0.3882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6035    0.1073    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094    1.5260    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271    2.5249    1.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    3.8590    0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    4.2343   -0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797    5.5722   -0.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331    3.2498   -1.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326    3.6335   -2.7159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059    1.9175   -1.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519   -0.6616    0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610   -0.6010   -0.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -0.0555    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -1.0915    0.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9992   -0.7536    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    0.6680    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850    1.5064    1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509    1.1602   -1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745    0.4390   -2.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.0967   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    2.2833   -0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -2.0733    1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617   -2.1797    2.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606   -4.5971   -1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -5.7126   -0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611   -5.7918    1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254   -1.8631   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564    0.1144    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5861    2.2301    2.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    4.6256    1.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044    6.2517   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021    4.6023   -2.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778    1.1913   -1.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -0.2163    1.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987    0.2119    1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314   -1.3894   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -1.0856    1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4399    0.7105   -0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195    1.9807    1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095    2.2106   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1929   -0.4428   -2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147    1.1517   -1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084    3.0156   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805   -2.7472    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -1.4665    3.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 19 30  1  0
 30 31  1  0
  8  2  1  0
 18 11  1  0
 28 21  1  0
 30  6  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  0
  8 35  1  0
 10 36  1  0
 12 37  1  0
 13 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 21 43  1  0
 23 44  1  0
 23 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 30 52  1  0
 31 53  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2    7                                                       
CONECT    2    1    9                                                       
CONECT    3    7   10                                                       
CONECT    4    8   11                                                       
CONECT    5    8   13                                                       
CONECT    6   12   29                                                       
CONECT    7    1    3   18                                                  
CONECT    8    4    5   21                                                  
CONECT    9    2   10   22                                                  
CONECT   10    3    9   23                                                  
CONECT   11    4   14   24                                                  
CONECT   12    6   15   25                                                  
CONECT   13    5   14   30                                                  
CONECT   14   11   13   16                                                  
CONECT   15   12   17   26                                                  
CONECT   16   14   19   27                                                  
CONECT   17   15   20   28                                                  
CONECT   18    7   19   30                                                  
CONECT   19   16   18   31                                                  
CONECT   20   17   29   31                                                  
CONECT   21    8                                                            
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   12                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29    6   20                                                       
CONECT   30   13   18                                                       
CONECT   31   19   20                                                       
MASTER        0    0    0    0    0    0    0    0   31    0   68    0
END

COMPND    HMDB0041238
HETATM    1  O1  UNL     1      -4.931  -4.452  -1.700  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.900  -3.864  -0.999  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.047  -4.623  -0.234  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.015  -4.044   0.469  1.00  0.00           C  
HETATM    5  O2  UNL     1      -1.160  -4.793   1.234  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.824  -2.654   0.410  1.00  0.00           C  
HETATM    7  C5  UNL     1      -2.649  -1.882  -0.335  1.00  0.00           C  
HETATM    8  C6  UNL     1      -3.678  -2.511  -1.029  1.00  0.00           C  
HETATM    9  O3  UNL     1      -2.455  -0.522  -0.388  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.603   0.107   0.544  1.00  0.00           C  
HETATM   11  C8  UNL     1      -1.409   1.526   0.206  1.00  0.00           C  
HETATM   12  C9  UNL     1      -1.427   2.525   1.156  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.260   3.859   0.892  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.058   4.234  -0.422  1.00  0.00           C  
HETATM   15  O4  UNL     1      -0.880   5.572  -0.771  1.00  0.00           O  
HETATM   16  C12 UNL     1      -1.033   3.250  -1.418  1.00  0.00           C  
HETATM   17  O5  UNL     1      -0.833   3.633  -2.716  1.00  0.00           O  
HETATM   18  C13 UNL     1      -1.206   1.917  -1.109  1.00  0.00           C  
HETATM   19  C14 UNL     1      -0.352  -0.662   0.802  1.00  0.00           C  
HETATM   20  O6  UNL     1       0.561  -0.601  -0.242  1.00  0.00           O  
HETATM   21  C15 UNL     1       1.787  -0.056   0.138  1.00  0.00           C  
HETATM   22  O7  UNL     1       2.697  -1.091   0.055  1.00  0.00           O  
HETATM   23  C16 UNL     1       3.999  -0.754   0.283  1.00  0.00           C  
HETATM   24  C17 UNL     1       4.350   0.668   0.020  1.00  0.00           C  
HETATM   25  O8  UNL     1       4.085   1.506   1.098  1.00  0.00           O  
HETATM   26  C18 UNL     1       3.551   1.160  -1.150  1.00  0.00           C  
HETATM   27  O9  UNL     1       3.774   0.439  -2.314  1.00  0.00           O  
HETATM   28  C19 UNL     1       2.090   1.097  -0.751  1.00  0.00           C  
HETATM   29  O10 UNL     1       1.826   2.283  -0.029  1.00  0.00           O  
HETATM   30  C20 UNL     1      -0.703  -2.073   1.184  1.00  0.00           C  
HETATM   31  O11 UNL     1      -1.062  -2.180   2.537  1.00  0.00           O  
HETATM   32  H1  UNL     1      -5.861  -4.597  -1.328  1.00  0.00           H  
HETATM   33  H2  UNL     1      -3.181  -5.713  -0.176  1.00  0.00           H  
HETATM   34  H3  UNL     1      -1.261  -5.792   1.304  1.00  0.00           H  
HETATM   35  H4  UNL     1      -4.325  -1.863  -1.620  1.00  0.00           H  
HETATM   36  H5  UNL     1      -2.156   0.114   1.538  1.00  0.00           H  
HETATM   37  H6  UNL     1      -1.586   2.230   2.193  1.00  0.00           H  
HETATM   38  H7  UNL     1      -1.279   4.626   1.665  1.00  0.00           H  
HETATM   39  H8  UNL     1      -0.904   6.252  -0.023  1.00  0.00           H  
HETATM   40  H9  UNL     1      -0.702   4.602  -2.979  1.00  0.00           H  
HETATM   41  H10 UNL     1      -1.178   1.191  -1.922  1.00  0.00           H  
HETATM   42  H11 UNL     1       0.159  -0.216   1.699  1.00  0.00           H  
HETATM   43  H12 UNL     1       1.699   0.212   1.229  1.00  0.00           H  
HETATM   44  H13 UNL     1       4.631  -1.389  -0.406  1.00  0.00           H  
HETATM   45  H14 UNL     1       4.299  -1.086   1.308  1.00  0.00           H  
HETATM   46  H15 UNL     1       5.440   0.711  -0.265  1.00  0.00           H  
HETATM   47  H16 UNL     1       4.919   1.981   1.326  1.00  0.00           H  
HETATM   48  H17 UNL     1       3.809   2.211  -1.363  1.00  0.00           H  
HETATM   49  H18 UNL     1       4.193  -0.443  -2.161  1.00  0.00           H  
HETATM   50  H19 UNL     1       1.515   1.152  -1.679  1.00  0.00           H  
HETATM   51  H20 UNL     1       2.008   3.016  -0.698  1.00  0.00           H  
HETATM   52  H21 UNL     1       0.180  -2.747   1.060  1.00  0.00           H  
HETATM   53  H22 UNL     1      -0.656  -1.467   3.078  1.00  0.00           H  
CONECT    1    2   32
CONECT    2    3    3    8
CONECT    3    4   33
CONECT    4    5    6    6
CONECT    5   34
CONECT    6    7   30
CONECT    7    8    8    9
CONECT    8   35
CONECT    9   10
CONECT   10   11   19   36
CONECT   11   12   12   18
CONECT   12   13   37
CONECT   13   14   14   38
CONECT   14   15   16
CONECT   15   39
CONECT   16   17   18   18
CONECT   17   40
CONECT   18   41
CONECT   19   20   30   42
CONECT   20   21
CONECT   21   22   28   43
CONECT   22   23
CONECT   23   24   44   45
CONECT   24   25   26   46
CONECT   25   47
CONECT   26   27   28   48
CONECT   27   49
CONECT   28   29   50
CONECT   29   51
CONECT   30   31   52
CONECT   31   53
END

HMDB0041238
     RDKit          3D
Loquatoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -4.9306   -4.4524   -1.6996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9003   -3.8645   -0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0468   -4.6230   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151   -4.0443    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1599   -4.7927    1.2339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8238   -2.6541    0.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493   -1.8821   -0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6777   -2.5108   -1.0285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4550   -0.5218   -0.3882 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6035    0.1073    0.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094    1.5260    0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4271    2.5249    1.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2597    3.8590    0.8918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0580    4.2343   -0.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797    5.5722   -0.7708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0331    3.2498   -1.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326    3.6335   -2.7159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059    1.9175   -1.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519   -0.6616    0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5610   -0.6010   -0.2425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7871   -0.0555    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6969   -1.0915    0.0545 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9992   -0.7536    0.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3500    0.6680    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0850    1.5064    1.0976 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509    1.1602   -1.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7745    0.4390   -2.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    1.0967   -0.7511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    2.2833   -0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034   -2.0733    1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0617   -2.1797    2.5366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8606   -4.5971   -1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   -5.7126   -0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611   -5.7918    1.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3254   -1.8631   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1564    0.1144    1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5861    2.2301    2.1927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    4.6256    1.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044    6.2517   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7021    4.6023   -2.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1778    1.1913   -1.9216 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -0.2163    1.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987    0.2119    1.2295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314   -1.3894   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2990   -1.0856    1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4399    0.7105   -0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9195    1.9807    1.3260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095    2.2106   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1929   -0.4428   -2.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5147    1.1517   -1.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0084    3.0156   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1805   -2.7472    1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6558   -1.4665    3.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 10 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 19 30  1  0
 30 31  1  0
  8  2  1  0
 18 11  1  0
 28 21  1  0
 30  6  1  0
  1 32  1  0
  3 33  1  0
  5 34  1  0
  8 35  1  0
 10 36  1  0
 12 37  1  0
 13 38  1  0
 15 39  1  0
 17 40  1  0
 18 41  1  0
 19 42  1  0
 21 43  1  0
 23 44  1  0
 23 45  1  0
 24 46  1  0
 25 47  1  0
 26 48  1  0
 27 49  1  0
 28 50  1  0
 29 51  1  0
 30 52  1  0
 31 53  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₀H₂₂O₁₁

Average Molecular Weight

438.3821

Monoisotopic Molecular Weight

438.116211546

IUPAC Name

2-(3,4-dihydroxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4,5,7-triol

Traditional Name

2-(3,4-dihydroxyphenyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]-3,4-dihydro-2H-1-benzopyran-4,5,7-triol

CAS Registry Number

74046-15-4

SMILES

OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)C(O)C1O

InChI Identifier

InChI=1S/C20H22O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15-28H,6H2

InChI Key

YISJRMFABYGQSX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

O-methylated flavonoids

Direct Parent

7-O-methylated flavonoids

Alternative Parents

Substituents

4p-methoxyflavonoid-skeleton
7-methoxyflavonoid-skeleton
Hydroxyflavonoid
Flavanone
5-hydroxyflavonoid
Flavan
Chromone
Methoxyphenol
Chromane
1-benzopyran
Benzopyran
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Aryl ketone
Aryl alkyl ketone
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Vinylogous acid
Ketone
Oxacycle
Organoheterocyclic compound
Ether
Organic oxide
Organic oxygen compound
Organooxygen compound
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Flavanones (LMPK12140535 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041238)
Cytoplasm (HMDB: HMDB0041238)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0041238)

Source

Exogenous

Exogenous (HMDB: HMDB0041238)

Food

Food (HMDB: HMDB0041238)

Fruit

Tropical fruit

Loquat (FooDB: FOOD00076)

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0041238)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0041238)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	208 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	16320 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	4.5 g/L	ALOGPS
logP	-0.07	ALOGPS
logP	-0.26	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	8.95	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	189.53 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	101.66 m³·mol⁻¹	ChemAxon
Polarizability	41.89 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	199.267	31661259
DarkChem	[M-H]-	190.831	31661259
DeepCCS	[M+H]+	197.38	30932474
DeepCCS	[M-H]-	195.022	30932474
DeepCCS	[M-2H]-	228.702	30932474
DeepCCS	[M+Na]+	203.832	30932474
AllCCS	[M+H]+	201.9	32859911
AllCCS	[M+H-H2O]+	199.4	32859911
AllCCS	[M+NH4]+	204.1	32859911
AllCCS	[M+Na]+	204.8	32859911
AllCCS	[M-H]-	197.6	32859911
AllCCS	[M+Na-2H]-	198.0	32859911
AllCCS	[M+HCOO]-	198.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Loquatoside	OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)C(O)C1O	5163.1	Standard polar	33892256
Loquatoside	OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)C(O)C1O	4239.8	Standard non polar	33892256
Loquatoside	OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC(O)=C(O)C=C2)C(O)C1O	4277.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Loquatoside,1TMS,isomer #1	C[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O)C1O	4239.7	Semi standard non polar	33892256
Loquatoside,1TMS,isomer #2	C[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O)C1O	4188.7	Semi standard non polar	33892256
Loquatoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4255.6	Semi standard non polar	33892256
Loquatoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O	4282.9	Semi standard non polar	33892256
Loquatoside,1TMS,isomer #5	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O)=CC=C1O	4251.3	Semi standard non polar	33892256
Loquatoside,1TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O	4271.5	Semi standard non polar	33892256
Loquatoside,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)OCC(O)C1O	4209.4	Semi standard non polar	33892256
Loquatoside,1TMS,isomer #8	C[Si](C)(C)OC1C(O)COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C1O	4222.1	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #1	C[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C)C(O)C1O	4146.4	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	4208.8	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC=C1O	4192.6	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #12	C[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O[Si](C)(C)C)C1O	4149.4	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #13	C[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O)C1O[Si](C)(C)C	4141.1	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4195.3	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4178.3	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4174.4	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O	4229.4	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O)=CC=C1O	4215.5	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O	4231.1	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4188.0	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O	4217.3	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O	4199.6	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O	4195.6	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC=C1O	4174.4	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4180.9	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C	4208.7	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	4195.3	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	4199.7	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #28	C[Si](C)(C)OC1C(O)COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C	4136.1	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O	4207.6	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	4208.3	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #5	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4190.5	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #6	C[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O	4139.2	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #7	C[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C	4168.2	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4199.0	Semi standard non polar	33892256
Loquatoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C	4207.0	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	4043.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	4049.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #11	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4034.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O	4067.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O	4051.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O	4075.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O	4066.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	4061.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #17	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	4061.4	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	4089.3	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #19	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	4039.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #2	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC=C1O	4029.0	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #20	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	4040.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #21	C[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4079.4	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4057.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #23	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4048.4	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #24	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4050.6	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	4058.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #26	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)=CC=C1O	4044.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C	4064.0	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C	4045.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	4044.5	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O[Si](C)(C)C	4068.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	4048.3	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	4018.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	4031.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C	4081.4	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3994.5	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4015.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #36	C[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4032.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4012.5	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4031.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	4054.0	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4065.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	4032.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4047.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	4005.5	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3982.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	4037.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #45	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC=C1O	4021.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C	4095.0	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O	4109.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O	4022.8	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O	4050.1	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #5	C[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4046.3	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O	3998.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O	4031.6	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	4053.6	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	4019.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	4057.7	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	4067.8	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	4044.3	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #6	C[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4047.2	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #7	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4056.9	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #8	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4069.6	Semi standard non polar	33892256
Loquatoside,3TMS,isomer #9	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4059.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #1	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O[Si](C)(C)C	3924.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #10	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	3941.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	3962.5	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3963.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	3953.1	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3958.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #15	C[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3983.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	3930.4	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #17	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3936.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #18	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3918.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #19	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3898.0	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O	3909.2	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3956.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #21	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	3887.4	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #22	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3872.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	3897.2	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #24	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3879.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	3954.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O	3979.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O	3918.9	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #28	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O	3926.0	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O	3899.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	3918.5	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O	3906.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	3982.2	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	3957.5	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	3961.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3974.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #35	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3936.9	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	3884.1	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3918.2	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3920.5	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3896.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	3924.9	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3926.5	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O	3852.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #42	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)=CC=C1O	3830.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O	3881.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #44	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)=CC=C1O	3869.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C	3968.8	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C	3968.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	3865.9	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3894.2	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	3843.0	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	3961.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #50	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3879.4	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #51	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3936.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	3897.4	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	3924.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3943.0	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #55	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3883.1	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #56	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3905.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #57	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3855.6	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #58	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3836.3	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #59	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3879.8	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O[Si](C)(C)C	3908.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #60	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3858.2	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #61	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3971.1	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #62	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	3864.8	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #63	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3847.9	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #64	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	3891.8	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3935.1	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O	3912.0	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O	3959.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	3895.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	3876.4	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #7	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)=CC=C1O	3896.0	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3945.9	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #8	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3904.7	Semi standard non polar	33892256
Loquatoside,4TMS,isomer #9	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3910.0	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3800.6	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3852.3	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3779.3	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	3762.0	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3769.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #14	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC=C1O	3737.5	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #15	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC=C1O	3747.2	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #16	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3830.6	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #17	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	3789.6	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #18	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3805.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3880.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C2O[Si](C)(C)C	3851.4	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3868.2	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #21	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3832.8	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3777.4	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #23	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3752.4	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #24	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3785.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3762.8	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #26	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3859.8	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #27	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	3792.8	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #28	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3774.0	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	3815.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	3787.0	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3816.1	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O	3847.4	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O	3847.2	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	3828.8	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	3806.2	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3874.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #36	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3784.8	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #37	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3753.5	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #38	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3725.1	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #39	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3758.5	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3793.0	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #40	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3738.9	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #41	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3842.3	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	3755.9	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #43	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3731.4	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #44	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	3777.1	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3808.5	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #46	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	3801.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3817.9	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #48	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3778.3	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #49	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3758.2	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O	3764.3	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3835.5	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #51	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3768.9	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #52	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3745.4	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #53	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3813.8	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #54	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3819.7	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3803.0	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	3833.0	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O	3772.4	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C	3840.6	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	3840.1	Semi standard non polar	33892256
Loquatoside,5TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	3841.9	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #1	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3680.1	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3797.1	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #11	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3657.8	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #12	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3648.3	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3694.3	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #14	C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC=C1O	3667.6	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #15	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	3718.8	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #16	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3672.7	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #17	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3653.7	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #18	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3729.4	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #19	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3728.3	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #2	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3667.1	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #20	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3743.1	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O	3773.8	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #22	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O)=C1)O2	3662.5	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #23	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C)=C1)O2	3640.7	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #24	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3709.6	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #25	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O)C(O)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3715.5	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3726.1	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3744.2	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #28	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3716.5	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #3	C[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C)=C1)C(O[Si](C)(C)C)C(OC1OCC(O[Si](C)(C)C)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)O2	3758.8	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C2O[Si](C)(C)C	3747.0	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3751.0	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #6	C[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C2O[Si](C)(C)C	3719.8	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C=C1O	3691.5	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C=C1O[Si](C)(C)C	3726.4	Semi standard non polar	33892256
Loquatoside,6TMS,isomer #9	C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C)=C3C(O[Si](C)(C)C)C2OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C=C1O[Si](C)(C)C	3730.0	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O)C1O	4506.4	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O)C1O	4451.8	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4496.4	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O	4511.8	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O)=CC=C1O	4516.9	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O	4530.0	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)OCC(O)C1O	4484.7	Semi standard non polar	33892256
Loquatoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C1O	4498.3	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C(C)(C)C)C(O)C1O	4654.7	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	4679.9	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)=CC=C1O	4655.6	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O	4643.7	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C	4628.6	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4651.9	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4645.3	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4635.8	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O	4671.8	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O)=CC=C1O	4656.0	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O	4698.3	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4665.4	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O	4676.8	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C2O	4658.1	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C2O	4647.5	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4648.2	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4646.6	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4679.0	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4674.6	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4665.1	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C1O[Si](C)(C)C(C)(C)C	4644.1	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C2O	4681.0	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4689.4	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4669.8	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O	4661.7	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O)C1O[Si](C)(C)C(C)(C)C	4689.6	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4666.5	Semi standard non polar	33892256
Loquatoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C(C)(C)C	4662.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4731.6	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4742.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4720.3	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C2O	4771.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C2O	4746.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C2O	4723.3	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C2O	4722.0	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4730.7	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4726.5	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4775.5	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4708.0	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4707.9	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4703.8	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1COC(OC2C(O)C3=C(O)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4721.8	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4746.4	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4691.0	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4680.5	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O	4761.3	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)=CC=C1O	4734.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C(C)(C)C	4776.8	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C(C)(C)C	4748.7	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C2O[Si](C)(C)C(C)(C)C	4694.5	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C2O[Si](C)(C)C(C)(C)C	4740.0	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C	4685.7	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4701.3	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4687.7	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4773.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4675.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4661.0	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C2=C(O)C=C(O)C=C2OC(C2=CC=C(O)C(O)=C2)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4658.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4694.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4686.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	4767.6	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4732.0	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)O2	4741.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4669.5	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4705.5	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4678.7	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4691.6	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4668.9	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4774.1	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O	4798.7	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C2O	4738.0	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C2O	4725.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4697.5	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C2O	4707.4	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C2O	4698.4	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C2O	4685.3	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4667.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	4739.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4730.3	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	4692.4	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4702.8	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4744.6	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4710.2	Semi standard non polar	33892256
Loquatoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4708.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C2O[Si](C)(C)C(C)(C)C	4798.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O)=C1)O2	4787.6	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C2O[Si](C)(C)C(C)(C)C	4758.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C	4764.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4740.0	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4746.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1COC(OC2C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4756.2	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4749.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4751.9	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	4829.0	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)O2	4799.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O	4772.8	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4740.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4743.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4719.3	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4730.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4707.0	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4805.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C2O	4840.0	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C2O	4790.9	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C2O	4778.9	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C2O	4765.3	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4732.8	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C2O	4754.2	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C2O	4780.6	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	4761.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	4777.9	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4777.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4736.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O)=C1)O2	4715.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4742.9	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	4809.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)O2	4777.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4735.2	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(O[Si](C)(C)C(C)(C)C)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4709.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O	4735.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4705.3	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O	4719.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4696.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4813.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O)C1O)C2O[Si](C)(C)C(C)(C)C	4833.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C2O[Si](C)(C)C(C)(C)C	4761.2	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C	4743.0	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C2O[Si](C)(C)C(C)(C)C	4731.0	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C=C1O[Si](C)(C)C(C)(C)C	4794.2	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C	4718.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C	4732.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	4712.9	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	4739.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4745.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4686.3	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O)=C1)O2	4717.6	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	4797.6	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)O2	4769.9	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)O2	4777.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)C2O[Si](C)(C)C(C)(C)C	4774.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)O2	4748.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1=CC2=C(C(O[Si](C)(C)C(C)(C)C)=C1)C(O)C(OC1OCC(O)C(O)C1O)C(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)O2	4838.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O	4705.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4683.6	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C=C1O[Si](C)(C)C(C)(C)C	4754.7	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O)C2OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4756.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)C2O	4792.2	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)C2O	4790.1	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #68	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C2O	4755.5	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=C1)OC(C1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)C(OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C2O	4732.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC=C1O	4748.7	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(O)=C3C(O)C2OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C=C1O[Si](C)(C)C(C)(C)C	4743.4	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=CC=C1O	4708.3	Semi standard non polar	33892256
Loquatoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(O)=C3C(O[Si](C)(C)C(C)(C)C)C2OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=CC=C1O	4709.6	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 - Loquatoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-00di-9224800000-7a1eae65661d41281079	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (3 TMS) - 70eV, Positive	splash10-007c-3710239000-9b8e6bd52bec06f6d9a9	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_2_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_3_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_3_22) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_3_23) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_3_24) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_3_25) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_3_26) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_13) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_14) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_36) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_37) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_38) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_39) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_41) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_42) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_43) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_44) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Loquatoside GC-MS (TBDMS_4_45) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 10V, Positive-QTOF	splash10-0a4r-0337900000-88404e302198f0b59f2a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 20V, Positive-QTOF	splash10-0a4r-0965100000-4fec0669b6dd99d466c5	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 40V, Positive-QTOF	splash10-059i-1910000000-020b2a6683989bc897e8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 10V, Negative-QTOF	splash10-052r-1314900000-84dd432e725a2ae864b3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 20V, Negative-QTOF	splash10-0a4r-1947400000-cad491cfd2918a46d718	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 40V, Negative-QTOF	splash10-0a6u-4910000000-e16f2f66e34231fc7eff	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 10V, Positive-QTOF	splash10-0a4r-0079000000-02c5b73a27cc4378bdbf	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 20V, Positive-QTOF	splash10-0540-0923000000-50612094cacd3371b407	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 40V, Positive-QTOF	splash10-05oa-2911000000-747f63dbf3f8576a0de5	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 10V, Negative-QTOF	splash10-000i-0014900000-33883ca4fa632e029a5f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 20V, Negative-QTOF	splash10-066r-1019000000-4b05df8c34f606c9eee9	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Loquatoside 40V, Negative-QTOF	splash10-053m-1941000000-8fdfaf50baf0cde90f0a	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB021144

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

78178070

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1890761

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 Loquatoside (HMDB0041238)

MOL for HMDB0041238 (Loquatoside)

3D MOL for HMDB0041238 (Loquatoside)

3D SDF for HMDB0041238 (Loquatoside)

3D-SDF for HMDB0041238 (Loquatoside)

PDB for HMDB0041238 (Loquatoside)

3D PDB for HMDB0041238 (Loquatoside)

SMILES for HMDB0041238 (Loquatoside)

INCHI for HMDB0041238 (Loquatoside)

Structure for HMDB0041238 (Loquatoside)

3D Structure for HMDB0041238 (Loquatoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra