Hmdb loader

Showing metabocard for Cofaryloside (HMDB0035096)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:02:20 UTC
Update Date2022-03-07 02:54:21 UTC
HMDB IDHMDB0035096
Secondary Accession Numbers
  • HMDB35096
Metabolite Identification
Common NameCofaryloside
DescriptionCofaryloside belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Based on a literature review a significant number of articles have been published on Cofaryloside.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0035096 (Cofaryloside)


  Mrv0541 05061308142D          

 36 40  0  0  0  0            999 V2000
    3.7830    2.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305    1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3553    0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624    0.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7316    2.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458    0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9122    2.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943    0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383    2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6438    2.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    3.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9056    3.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992    3.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2152    2.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7865    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0801    2.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0725    2.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3343    3.8955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4769    3.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3993    2.0199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7448    0.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9375    2.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5088    2.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  3  1  0  0  0  0
  7  3  1  0  0  0  0
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  9  4  1  0  0  0  0
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 35 20  1  0  0  0  0
 36 20  1  0  0  0  0
 36 21  1  0  0  0  0
M  END
Download

3D MOL for HMDB0035096 (Cofaryloside)

HMDB0035096
     RDKit          3D
Cofaryloside
 78 82  0  0  0  0  0  0  0  0999 V2000
    0.6552   -2.4937   -2.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5537   -2.0463   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -1.6370   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300   -2.2298    0.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223   -0.5587   -1.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8255   -0.1081   -0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.1687   -0.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    1.2672    0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688    2.5014    1.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413    3.6358    0.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525    1.2037   -0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    1.0525    0.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1714   -0.0184   -1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
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 34 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 36 78  1  0
M  END
Download

3D SDF for HMDB0035096 (Cofaryloside)


  Mrv0541 05061308142D          

 36 40  0  0  0  0            999 V2000
    3.7830    2.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305    1.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3553    0.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1624    0.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7316    2.6344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6225    1.5414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5458    0.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9122    2.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943    0.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4240    0.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3661    2.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7383    2.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6438    2.6444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2706    2.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    3.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0801    2.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0034    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1409    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1837    1.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0725    2.6720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2827    1.2737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 22  1  1  0  0  0  0
 22  6  1  0  0  0  0
 22 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23  2  1  0  0  0  0
 23  7  1  0  0  0  0
 23 16  1  0  0  0  0
 24  8  1  0  0  0  0
 24 10  1  0  0  0  0
 24 12  1  0  0  0  0
 25 12  1  0  0  0  0
 25 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26  9  1  0  0  0  0
 26 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 11  1  0  0  0  0
 28 13  1  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31 19  1  0  0  0  0
 32 21  2  0  0  0  0
 33 25  1  0  0  0  0
 34 26  1  0  0  0  0
 35 15  1  0  0  0  0
 35 20  1  0  0  0  0
 36 20  1  0  0  0  0
 36 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035096

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H42O10/c1-22(21(32)36-20-19(31)18(30)17(29)15(11-27)35-20)6-3-7-23(2)16(22)5-8-24-10-14(4-9-26(23,24)34)25(33,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3

> <INCHI_KEY>
VEZJUFUSLIUNOY-UHFFFAOYSA-N

> <FORMULA>
C26H42O10

> <MOLECULAR_WEIGHT>
514.6057

> <EXACT_MASS>
514.277797564

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
54.64686598390921

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

> <ALOGPS_LOGP>
-0.36

> <JCHEM_LOGP>
-0.47810101466666804

> <ALOGPS_LOGS>
-2.38

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.045003123497768

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.175992599850977

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981093680169468

> <JCHEM_POLAR_SURFACE_AREA>
177.13999999999996

> <JCHEM_REFRACTIVITY>
124.61719999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.15e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0035096 (Cofaryloside)

HMDB0035096
     RDKit          3D
Cofaryloside
 78 82  0  0  0  0  0  0  0  0999 V2000
    0.6552   -2.4937   -2.1809 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5537   -2.0463   -0.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9246   -1.6370   -0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300   -2.2298    0.4724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223   -0.5587   -1.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8255   -0.1081   -0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    1.1687   -0.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0776    1.2672    0.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1688    2.5014    1.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0413    3.6358    0.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2525    1.2037   -0.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4103    1.0525    0.3154 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1714   -0.0184   -1.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5300   -1.1542   -0.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7562   -0.1712   -1.9085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5865    0.8767   -2.8107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1142   -3.2326    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4050   -2.8223    1.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6075   -1.8853    1.2522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0425   -0.6311    0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0496   -0.0600    1.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4799   -0.9403   -0.6779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5630   -1.3845   -1.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8270   -0.6658   -1.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2228    0.0917   -0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4223   -0.4658    0.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8826    0.7547    1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8709    0.8824    2.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4745    1.1637    1.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0746    0.4655    0.4614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3570    1.4230   -0.3181 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8244    1.8508    0.1007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4790    3.0898    0.6861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2033    2.0445   -0.5105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6855    0.9158   -1.1257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8070    1.4348   -0.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1464   -3.1514   -2.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5980   -3.1210   -2.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8813   -1.6371   -2.8469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2339   -0.7942    0.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1894    0.3905    1.1823 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1044    2.5123    1.8936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3425    2.4382    2.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3299    3.5431   -0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3179    2.1258   -1.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0097    0.3579   -0.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9196    0.0924   -2.1569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1415   -1.9726   -1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7026   -1.1245   -2.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4299    1.2691   -3.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0326   -3.8472    0.2919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5888   -3.8903   -0.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7717   -3.7476    1.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3931   -2.3342    2.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0657   -1.7498    2.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2534   -2.4608    0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0463    1.0704    1.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3286   -0.4126    2.6623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862   -0.3390    1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091   -0.0280   -1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7311   -2.4856   -1.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170   -1.3769   -2.6442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8980   -0.0262   -2.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6671   -1.4108   -1.8012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2542   -1.2517    1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1641   -0.7343   -0.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8629    0.5903    1.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1928    1.7130    2.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8919   -0.0412    2.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8096    0.9753    2.5910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4310    2.2883    1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0952    2.1943    0.2072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1660    3.7691    0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1661    2.8567   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8971    2.3284    0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5642    0.6485   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319    2.1941   -0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2652    1.2620   -1.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
  2 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 27 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 32 36  1  0
 22  2  1  0
 30 25  1  0
 15  6  1  0
 30 20  1  0
 36 25  1  0
  1 37  1  0
  1 38  1  0
  1 39  1  0
  6 40  1  0
  8 41  1  0
  9 42  1  0
  9 43  1  0
 10 44  1  0
 11 45  1  0
 12 46  1  0
 13 47  1  0
 14 48  1  0
 15 49  1  0
 16 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 21 57  1  0
 21 58  1  0
 21 59  1  0
 22 60  1  0
 23 61  1  0
 23 62  1  0
 24 63  1  0
 24 64  1  0
 26 65  1  0
 26 66  1  0
 27 67  1  0
 28 68  1  0
 28 69  1  0
 29 70  1  0
 29 71  1  0
 31 72  1  0
 33 73  1  0
 34 74  1  0
 34 75  1  0
 35 76  1  0
 36 77  1  0
 36 78  1  0
M  END
Download

PDB for HMDB0035096 (Cofaryloside)

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       7.062   5.474   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.724   3.247   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.130   1.420   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.170   0.028   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.099   4.918   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.629   2.877   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.619   1.124   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.569   4.626   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.723   0.398   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.658   1.700   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.617   4.192   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.378   3.797   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.000   1.725   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.045   1.193   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      14.268   4.936   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.105   3.741   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.239   6.476   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      12.890   7.220   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.572   6.425   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.602   4.885   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.935   4.833   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.616   4.038   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.606   2.284   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.934   3.167   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.263   2.607   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.076   1.981   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      16.935   4.988   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -2.394   2.378   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      15.557   7.272   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      12.861   8.760   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      10.224   7.169   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.905   6.373   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -0.745   3.770   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.124   0.732   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      12.950   4.141   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      10.283   4.089   0.000  0.00  0.00           O+0
CONECT    1   22                                                            
CONECT    2   23                                                            
CONECT    3    6    7                                                       
CONECT    4    9   14                                                       
CONECT    5    8   16                                                       
CONECT    6    3   22                                                       
CONECT    7    3   23                                                       
CONECT    8    5   24                                                       
CONECT    9    4   26                                                       
CONECT   10   14   24                                                       
CONECT   11   15   27                                                       
CONECT   12   24   25                                                       
CONECT   13   25   28                                                       
CONECT   14    4   10   25                                                  
CONECT   15   11   17   35                                                  
CONECT   16    5   22   23                                                  
CONECT   17   15   18   29                                                  
CONECT   18   17   19   30                                                  
CONECT   19   18   20   31                                                  
CONECT   20   19   35   36                                                  
CONECT   21   22   32   36                                                  
CONECT   22    1    6   16   21                                             
CONECT   23    2    7   16   26                                             
CONECT   24    8   10   12   26                                             
CONECT   25   12   13   14   33                                             
CONECT   26    9   23   24   34                                             
CONECT   27   11                                                            
CONECT   28   13                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31   19                                                            
CONECT   32   21                                                            
CONECT   33   25                                                            
CONECT   34   26                                                            
CONECT   35   15   20                                                       
CONECT   36   20   21                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   80    0
END
Download

3D PDB for HMDB0035096 (Cofaryloside)

COMPND    HMDB0035096
HETATM    1  C1  UNL     1       0.655  -2.494  -2.181  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.554  -2.046  -0.710  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.925  -1.637  -0.381  1.00  0.00           C  
HETATM    4  O1  UNL     1       2.630  -2.230   0.472  1.00  0.00           O  
HETATM    5  O2  UNL     1       2.522  -0.559  -1.006  1.00  0.00           O  
HETATM    6  C4  UNL     1       3.825  -0.108  -0.749  1.00  0.00           C  
HETATM    7  O3  UNL     1       3.861   1.169  -0.189  1.00  0.00           O  
HETATM    8  C5  UNL     1       5.078   1.267   0.486  1.00  0.00           C  
HETATM    9  C6  UNL     1       5.169   2.501   1.331  1.00  0.00           C  
HETATM   10  O4  UNL     1       5.041   3.636   0.566  1.00  0.00           O  
HETATM   11  C7  UNL     1       6.252   1.204  -0.461  1.00  0.00           C  
HETATM   12  O5  UNL     1       7.410   1.052   0.315  1.00  0.00           O  
HETATM   13  C8  UNL     1       6.171  -0.018  -1.353  1.00  0.00           C  
HETATM   14  O6  UNL     1       6.530  -1.154  -0.609  1.00  0.00           O  
HETATM   15  C9  UNL     1       4.756  -0.171  -1.908  1.00  0.00           C  
HETATM   16  O7  UNL     1       4.587   0.877  -2.811  1.00  0.00           O  
HETATM   17  C10 UNL     1       0.114  -3.233   0.083  1.00  0.00           C  
HETATM   18  C11 UNL     1      -0.405  -2.822   1.469  1.00  0.00           C  
HETATM   19  C12 UNL     1      -1.607  -1.885   1.252  1.00  0.00           C  
HETATM   20  C13 UNL     1      -1.043  -0.631   0.668  1.00  0.00           C  
HETATM   21  C14 UNL     1      -0.050  -0.060   1.638  1.00  0.00           C  
HETATM   22  C15 UNL     1      -0.480  -0.940  -0.678  1.00  0.00           C  
HETATM   23  C16 UNL     1      -1.563  -1.385  -1.614  1.00  0.00           C  
HETATM   24  C17 UNL     1      -2.827  -0.666  -1.631  1.00  0.00           C  
HETATM   25  C18 UNL     1      -3.223   0.092  -0.405  1.00  0.00           C  
HETATM   26  C19 UNL     1      -4.422  -0.466   0.291  1.00  0.00           C  
HETATM   27  C20 UNL     1      -4.883   0.755   1.103  1.00  0.00           C  
HETATM   28  C21 UNL     1      -3.871   0.882   2.202  1.00  0.00           C  
HETATM   29  C22 UNL     1      -2.475   1.164   1.709  1.00  0.00           C  
HETATM   30  C23 UNL     1      -2.075   0.466   0.461  1.00  0.00           C  
HETATM   31  O8  UNL     1      -1.357   1.423  -0.318  1.00  0.00           O  
HETATM   32  C24 UNL     1      -4.824   1.851   0.101  1.00  0.00           C  
HETATM   33  O9  UNL     1      -4.479   3.090   0.686  1.00  0.00           O  
HETATM   34  C25 UNL     1      -6.203   2.045  -0.511  1.00  0.00           C  
HETATM   35  O10 UNL     1      -6.685   0.916  -1.126  1.00  0.00           O  
HETATM   36  C26 UNL     1      -3.807   1.435  -0.897  1.00  0.00           C  
HETATM   37  H1  UNL     1      -0.146  -3.151  -2.491  1.00  0.00           H  
HETATM   38  H2  UNL     1       1.598  -3.121  -2.238  1.00  0.00           H  
HETATM   39  H3  UNL     1       0.881  -1.637  -2.847  1.00  0.00           H  
HETATM   40  H4  UNL     1       4.234  -0.794   0.036  1.00  0.00           H  
HETATM   41  H5  UNL     1       5.189   0.390   1.182  1.00  0.00           H  
HETATM   42  H6  UNL     1       6.104   2.512   1.894  1.00  0.00           H  
HETATM   43  H7  UNL     1       4.342   2.438   2.097  1.00  0.00           H  
HETATM   44  H8  UNL     1       4.330   3.543  -0.108  1.00  0.00           H  
HETATM   45  H9  UNL     1       6.318   2.126  -1.040  1.00  0.00           H  
HETATM   46  H10 UNL     1       8.010   0.358  -0.015  1.00  0.00           H  
HETATM   47  H11 UNL     1       6.920   0.092  -2.157  1.00  0.00           H  
HETATM   48  H12 UNL     1       6.142  -1.973  -1.004  1.00  0.00           H  
HETATM   49  H13 UNL     1       4.703  -1.124  -2.449  1.00  0.00           H  
HETATM   50  H14 UNL     1       5.430   1.269  -3.086  1.00  0.00           H  
HETATM   51  H15 UNL     1       1.033  -3.847   0.292  1.00  0.00           H  
HETATM   52  H16 UNL     1      -0.589  -3.890  -0.434  1.00  0.00           H  
HETATM   53  H17 UNL     1      -0.772  -3.748   1.943  1.00  0.00           H  
HETATM   54  H18 UNL     1       0.393  -2.334   2.030  1.00  0.00           H  
HETATM   55  H19 UNL     1      -2.066  -1.750   2.241  1.00  0.00           H  
HETATM   56  H20 UNL     1      -2.253  -2.461   0.548  1.00  0.00           H  
HETATM   57  H21 UNL     1      -0.046   1.070   1.590  1.00  0.00           H  
HETATM   58  H22 UNL     1      -0.329  -0.413   2.662  1.00  0.00           H  
HETATM   59  H23 UNL     1       0.986  -0.339   1.494  1.00  0.00           H  
HETATM   60  H24 UNL     1      -0.009  -0.028  -1.109  1.00  0.00           H  
HETATM   61  H25 UNL     1      -1.731  -2.486  -1.416  1.00  0.00           H  
HETATM   62  H26 UNL     1      -1.117  -1.377  -2.644  1.00  0.00           H  
HETATM   63  H27 UNL     1      -2.898  -0.026  -2.565  1.00  0.00           H  
HETATM   64  H28 UNL     1      -3.667  -1.411  -1.801  1.00  0.00           H  
HETATM   65  H29 UNL     1      -4.254  -1.252   1.018  1.00  0.00           H  
HETATM   66  H30 UNL     1      -5.164  -0.734  -0.472  1.00  0.00           H  
HETATM   67  H31 UNL     1      -5.863   0.590   1.554  1.00  0.00           H  
HETATM   68  H32 UNL     1      -4.193   1.713   2.868  1.00  0.00           H  
HETATM   69  H33 UNL     1      -3.892  -0.041   2.806  1.00  0.00           H  
HETATM   70  H34 UNL     1      -1.810   0.975   2.591  1.00  0.00           H  
HETATM   71  H35 UNL     1      -2.431   2.288   1.585  1.00  0.00           H  
HETATM   72  H36 UNL     1      -1.095   2.194   0.207  1.00  0.00           H  
HETATM   73  H37 UNL     1      -5.166   3.769   0.565  1.00  0.00           H  
HETATM   74  H38 UNL     1      -6.166   2.857  -1.281  1.00  0.00           H  
HETATM   75  H39 UNL     1      -6.897   2.328   0.301  1.00  0.00           H  
HETATM   76  H40 UNL     1      -7.564   0.649  -0.763  1.00  0.00           H  
HETATM   77  H41 UNL     1      -3.032   2.194  -0.997  1.00  0.00           H  
HETATM   78  H42 UNL     1      -4.265   1.262  -1.909  1.00  0.00           H  
CONECT    1    2   37   38   39
CONECT    2    3   17   22
CONECT    3    4    4    5
CONECT    5    6
CONECT    6    7   15   40
CONECT    7    8
CONECT    8    9   11   41
CONECT    9   10   42   43
CONECT   10   44
CONECT   11   12   13   45
CONECT   12   46
CONECT   13   14   15   47
CONECT   14   48
CONECT   15   16   49
CONECT   16   50
CONECT   17   18   51   52
CONECT   18   19   53   54
CONECT   19   20   55   56
CONECT   20   21   22   30
CONECT   21   57   58   59
CONECT   22   23   60
CONECT   23   24   61   62
CONECT   24   25   63   64
CONECT   25   26   30   36
CONECT   26   27   65   66
CONECT   27   28   32   67
CONECT   28   29   68   69
CONECT   29   30   70   71
CONECT   30   31
CONECT   31   72
CONECT   32   33   34   36
CONECT   33   73
CONECT   34   35   74   75
CONECT   35   76
CONECT   36   77   78
END
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SMILES for HMDB0035096 (Cofaryloside)

CC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O
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INCHI for HMDB0035096 (Cofaryloside)

InChI=1S/C26H42O10/c1-22(21(32)36-20-19(31)18(30)17(29)15(11-27)35-20)6-3-7-23(2)16(22)5-8-24-10-14(4-9-26(23,24)34)25(33,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Lithocholic acid, methyl esterHMDB
Methyl 3alpha-hydroxy-5beta-cholan-24-OateHMDB
Methyl lithocholateHMDB
3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acidGenerator
Chemical FormulaC26H42O10
Average Molecular Weight514.6057
Monoisotopic Molecular Weight514.277797564
IUPAC Name3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
Traditional Name3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylate
CAS Registry Number63558-43-0
SMILES
CC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O
InChI Identifier
InChI=1S/C26H42O10/c1-22(21(32)36-20-19(31)18(30)17(29)15(11-27)35-20)6-3-7-23(2)16(22)5-8-24-10-14(4-9-26(23,24)34)25(33,12-24)13-28/h14-20,27-31,33-34H,3-13H2,1-2H3
InChI KeyVEZJUFUSLIUNOY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassTerpene glycosides
Direct ParentDiterpene glycosides
Alternative Parents
Substituents
  • Diterpene glycoside
  • Diterpenoid
  • Kaurane diterpenoid
  • Hexose monosaccharide
  • Monosaccharide
  • Oxane
  • Cyclic alcohol
  • Tertiary alcohol
  • Carboxylic acid ester
  • Secondary alcohol
  • Polyol
  • Organoheterocyclic compound
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Acetal
  • Carboxylic acid derivative
  • Primary alcohol
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point184 - 187 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.15 g/LALOGPS
logP-0.36ALOGPS
logP-0.48ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)12.18ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area177.14 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity124.62 m³·mol⁻¹ChemAxon
Polarizability54.65 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+215.02731661259
DarkChem[M-H]-204.6231661259
DeepCCS[M-2H]-241.37830932474
DeepCCS[M+Na]+216.80330932474
AllCCS[M+H]+220.032859911
AllCCS[M+H-H2O]+218.632859911
AllCCS[M+NH4]+221.232859911
AllCCS[M+Na]+221.532859911
AllCCS[M-H]-213.732859911
AllCCS[M+Na-2H]-215.432859911
AllCCS[M+HCOO]-217.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CofarylosideCC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O2686.4Standard polar33892256
CofarylosideCC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O4079.0Standard non polar33892256
CofarylosideCC1(CCCC2(C)C1CCC13CC(CCC21O)C(O)(CO)C3)C(=O)OC1OC(CO)C(O)C(O)C1O4336.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cofaryloside,1TMS,isomer #1CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34291.9Semi standard non polar33892256
Cofaryloside,1TMS,isomer #2CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34254.3Semi standard non polar33892256
Cofaryloside,1TMS,isomer #3CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34237.6Semi standard non polar33892256
Cofaryloside,1TMS,isomer #4CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34259.2Semi standard non polar33892256
Cofaryloside,1TMS,isomer #5CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34264.1Semi standard non polar33892256
Cofaryloside,1TMS,isomer #6CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34265.3Semi standard non polar33892256
Cofaryloside,1TMS,isomer #7CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34260.9Semi standard non polar33892256
Cofaryloside,2TMS,isomer #1CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34226.8Semi standard non polar33892256
Cofaryloside,2TMS,isomer #10CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34188.3Semi standard non polar33892256
Cofaryloside,2TMS,isomer #11CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34178.2Semi standard non polar33892256
Cofaryloside,2TMS,isomer #12CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34168.4Semi standard non polar33892256
Cofaryloside,2TMS,isomer #13CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34158.2Semi standard non polar33892256
Cofaryloside,2TMS,isomer #14CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34144.9Semi standard non polar33892256
Cofaryloside,2TMS,isomer #15CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34162.3Semi standard non polar33892256
Cofaryloside,2TMS,isomer #16CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34224.0Semi standard non polar33892256
Cofaryloside,2TMS,isomer #17CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34232.0Semi standard non polar33892256
Cofaryloside,2TMS,isomer #18CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34235.6Semi standard non polar33892256
Cofaryloside,2TMS,isomer #19CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34223.0Semi standard non polar33892256
Cofaryloside,2TMS,isomer #2CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34211.2Semi standard non polar33892256
Cofaryloside,2TMS,isomer #20CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34215.9Semi standard non polar33892256
Cofaryloside,2TMS,isomer #21CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34235.7Semi standard non polar33892256
Cofaryloside,2TMS,isomer #3CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34197.9Semi standard non polar33892256
Cofaryloside,2TMS,isomer #4CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34216.3Semi standard non polar33892256
Cofaryloside,2TMS,isomer #5CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C34187.1Semi standard non polar33892256
Cofaryloside,2TMS,isomer #6CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C34158.2Semi standard non polar33892256
Cofaryloside,2TMS,isomer #7CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34192.4Semi standard non polar33892256
Cofaryloside,2TMS,isomer #8CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34185.2Semi standard non polar33892256
Cofaryloside,2TMS,isomer #9CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34165.4Semi standard non polar33892256
Cofaryloside,3TMS,isomer #1CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34121.1Semi standard non polar33892256
Cofaryloside,3TMS,isomer #10CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34131.7Semi standard non polar33892256
Cofaryloside,3TMS,isomer #11CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C34049.3Semi standard non polar33892256
Cofaryloside,3TMS,isomer #12CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C34019.6Semi standard non polar33892256
Cofaryloside,3TMS,isomer #13CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C34065.4Semi standard non polar33892256
Cofaryloside,3TMS,isomer #14CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C34035.1Semi standard non polar33892256
Cofaryloside,3TMS,isomer #15CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34066.5Semi standard non polar33892256
Cofaryloside,3TMS,isomer #16CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34094.9Semi standard non polar33892256
Cofaryloside,3TMS,isomer #17CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34091.4Semi standard non polar33892256
Cofaryloside,3TMS,isomer #18CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34112.7Semi standard non polar33892256
Cofaryloside,3TMS,isomer #19CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34090.0Semi standard non polar33892256
Cofaryloside,3TMS,isomer #2CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34120.9Semi standard non polar33892256
Cofaryloside,3TMS,isomer #20CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34101.0Semi standard non polar33892256
Cofaryloside,3TMS,isomer #21CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34096.7Semi standard non polar33892256
Cofaryloside,3TMS,isomer #22CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34076.8Semi standard non polar33892256
Cofaryloside,3TMS,isomer #23CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34112.3Semi standard non polar33892256
Cofaryloside,3TMS,isomer #24CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34068.6Semi standard non polar33892256
Cofaryloside,3TMS,isomer #25CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34075.4Semi standard non polar33892256
Cofaryloside,3TMS,isomer #26CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34069.9Semi standard non polar33892256
Cofaryloside,3TMS,isomer #27CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34070.4Semi standard non polar33892256
Cofaryloside,3TMS,isomer #28CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34087.3Semi standard non polar33892256
Cofaryloside,3TMS,isomer #29CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34073.5Semi standard non polar33892256
Cofaryloside,3TMS,isomer #3CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34142.7Semi standard non polar33892256
Cofaryloside,3TMS,isomer #30CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34067.0Semi standard non polar33892256
Cofaryloside,3TMS,isomer #31CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34081.0Semi standard non polar33892256
Cofaryloside,3TMS,isomer #32CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34188.0Semi standard non polar33892256
Cofaryloside,3TMS,isomer #33CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34183.8Semi standard non polar33892256
Cofaryloside,3TMS,isomer #34CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34192.1Semi standard non polar33892256
Cofaryloside,3TMS,isomer #35CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34191.5Semi standard non polar33892256
Cofaryloside,3TMS,isomer #4CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C34069.4Semi standard non polar33892256
Cofaryloside,3TMS,isomer #5CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C34044.8Semi standard non polar33892256
Cofaryloside,3TMS,isomer #6CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34120.6Semi standard non polar33892256
Cofaryloside,3TMS,isomer #7CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34113.6Semi standard non polar33892256
Cofaryloside,3TMS,isomer #8CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C34060.6Semi standard non polar33892256
Cofaryloside,3TMS,isomer #9CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C34027.3Semi standard non polar33892256
Cofaryloside,4TMS,isomer #1CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34067.7Semi standard non polar33892256
Cofaryloside,4TMS,isomer #10CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33994.2Semi standard non polar33892256
Cofaryloside,4TMS,isomer #11CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34054.8Semi standard non polar33892256
Cofaryloside,4TMS,isomer #12CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33972.2Semi standard non polar33892256
Cofaryloside,4TMS,isomer #13CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33955.1Semi standard non polar33892256
Cofaryloside,4TMS,isomer #14CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33968.6Semi standard non polar33892256
Cofaryloside,4TMS,isomer #15CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33951.9Semi standard non polar33892256
Cofaryloside,4TMS,isomer #16CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33973.7Semi standard non polar33892256
Cofaryloside,4TMS,isomer #17CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33984.9Semi standard non polar33892256
Cofaryloside,4TMS,isomer #18CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33964.0Semi standard non polar33892256
Cofaryloside,4TMS,isomer #19CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33969.9Semi standard non polar33892256
Cofaryloside,4TMS,isomer #2CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34058.7Semi standard non polar33892256
Cofaryloside,4TMS,isomer #20CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33981.8Semi standard non polar33892256
Cofaryloside,4TMS,isomer #21CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34059.1Semi standard non polar33892256
Cofaryloside,4TMS,isomer #22CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34044.3Semi standard non polar33892256
Cofaryloside,4TMS,isomer #23CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34016.9Semi standard non polar33892256
Cofaryloside,4TMS,isomer #24CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34051.0Semi standard non polar33892256
Cofaryloside,4TMS,isomer #25CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34024.2Semi standard non polar33892256
Cofaryloside,4TMS,isomer #26CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34022.1Semi standard non polar33892256
Cofaryloside,4TMS,isomer #27CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34057.7Semi standard non polar33892256
Cofaryloside,4TMS,isomer #28CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34015.2Semi standard non polar33892256
Cofaryloside,4TMS,isomer #29CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34004.9Semi standard non polar33892256
Cofaryloside,4TMS,isomer #3CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33979.0Semi standard non polar33892256
Cofaryloside,4TMS,isomer #30CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34020.0Semi standard non polar33892256
Cofaryloside,4TMS,isomer #31CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34041.9Semi standard non polar33892256
Cofaryloside,4TMS,isomer #32CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34025.5Semi standard non polar33892256
Cofaryloside,4TMS,isomer #33CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34030.3Semi standard non polar33892256
Cofaryloside,4TMS,isomer #34CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34020.5Semi standard non polar33892256
Cofaryloside,4TMS,isomer #35CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34158.0Semi standard non polar33892256
Cofaryloside,4TMS,isomer #4CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33962.4Semi standard non polar33892256
Cofaryloside,4TMS,isomer #5CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34064.6Semi standard non polar33892256
Cofaryloside,4TMS,isomer #6CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33980.8Semi standard non polar33892256
Cofaryloside,4TMS,isomer #7CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33962.1Semi standard non polar33892256
Cofaryloside,4TMS,isomer #8CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33989.1Semi standard non polar33892256
Cofaryloside,4TMS,isomer #9CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33972.6Semi standard non polar33892256
Cofaryloside,5TMS,isomer #1CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO)C34042.6Semi standard non polar33892256
Cofaryloside,5TMS,isomer #10CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33942.3Semi standard non polar33892256
Cofaryloside,5TMS,isomer #11CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33934.2Semi standard non polar33892256
Cofaryloside,5TMS,isomer #12CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33901.2Semi standard non polar33892256
Cofaryloside,5TMS,isomer #13CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33912.8Semi standard non polar33892256
Cofaryloside,5TMS,isomer #14CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33913.9Semi standard non polar33892256
Cofaryloside,5TMS,isomer #15CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33918.2Semi standard non polar33892256
Cofaryloside,5TMS,isomer #16CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C)C34039.5Semi standard non polar33892256
Cofaryloside,5TMS,isomer #17CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C34006.4Semi standard non polar33892256
Cofaryloside,5TMS,isomer #18CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33988.6Semi standard non polar33892256
Cofaryloside,5TMS,isomer #19CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33994.1Semi standard non polar33892256
Cofaryloside,5TMS,isomer #2CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33963.7Semi standard non polar33892256
Cofaryloside,5TMS,isomer #20CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33971.5Semi standard non polar33892256
Cofaryloside,5TMS,isomer #21CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C)C34018.1Semi standard non polar33892256
Cofaryloside,5TMS,isomer #3CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33944.5Semi standard non polar33892256
Cofaryloside,5TMS,isomer #4CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33950.6Semi standard non polar33892256
Cofaryloside,5TMS,isomer #5CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33931.6Semi standard non polar33892256
Cofaryloside,5TMS,isomer #6CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33934.1Semi standard non polar33892256
Cofaryloside,5TMS,isomer #7CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO)(O[Si](C)(C)C)C33951.6Semi standard non polar33892256
Cofaryloside,5TMS,isomer #8CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(O)(CO[Si](C)(C)C)C33932.5Semi standard non polar33892256
Cofaryloside,5TMS,isomer #9CC1(C(=O)OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C)C(CO[Si](C)(C)C)(O[Si](C)(C)C)C33933.6Semi standard non polar33892256
Cofaryloside,1TBDMS,isomer #1CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34503.5Semi standard non polar33892256
Cofaryloside,1TBDMS,isomer #2CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34476.2Semi standard non polar33892256
Cofaryloside,1TBDMS,isomer #3CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34444.1Semi standard non polar33892256
Cofaryloside,1TBDMS,isomer #4CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34468.9Semi standard non polar33892256
Cofaryloside,1TBDMS,isomer #5CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34496.0Semi standard non polar33892256
Cofaryloside,1TBDMS,isomer #6CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34490.9Semi standard non polar33892256
Cofaryloside,1TBDMS,isomer #7CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34498.1Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #1CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34637.1Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #10CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34628.6Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #11CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C34603.9Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #12CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34581.3Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #13CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34596.0Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #14CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34578.0Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #15CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34594.7Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #16CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34664.7Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #17CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34670.0Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #18CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34674.8Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #19CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34686.8Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #2CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34648.9Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #20CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34680.4Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #21CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34704.2Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #3CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34631.9Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #4CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34647.0Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #5CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)C34593.3Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #6CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO[Si](C)(C)C(C)(C)C)C34559.8Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #7CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34606.0Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #8CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34628.2Semi standard non polar33892256
Cofaryloside,2TBDMS,isomer #9CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34606.2Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #1CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34739.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #10CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34755.0Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #11CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)C34665.8Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #12CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO[Si](C)(C)C(C)(C)C)C34641.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #13CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)C34668.8Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #14CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO[Si](C)(C)C(C)(C)C)C34643.0Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #15CC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C34678.0Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #16CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34711.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #17CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34715.7Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #18CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34720.5Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #19CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C34707.7Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #2CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34737.2Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #20CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34715.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #21CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34715.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #22CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C34712.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #23CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO)(O[Si](C)(C)C(C)(C)C)C34732.9Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #24CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C34701.0Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #25CC1(C(=O)OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C34705.7Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #26CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34696.7Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #27CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34698.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #28CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34704.6Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #29CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34692.0Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #3CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34752.0Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #30CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34691.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #31CC1(C(=O)OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO[Si](C)(C)C(C)(C)C)C34705.1Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #32CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34829.1Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #33CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34831.2Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #34CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34833.7Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #35CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O)C(O)(CO)C34834.6Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #4CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)C34661.7Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #5CC1(C(=O)OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO[Si](C)(C)C(C)(C)C)C34644.6Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #6CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34736.4Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #7CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO)C34737.7Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #8CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(CO)(O[Si](C)(C)C(C)(C)C)C34676.3Semi standard non polar33892256
Cofaryloside,3TBDMS,isomer #9CC1(C(=O)OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)CCCC2(C)C1CCC13CC(CCC12O[Si](C)(C)C(C)(C)C)C(O)(CO[Si](C)(C)C(C)(C)C)C34649.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Cofaryloside GC-MS (Non-derivatized) - 70eV, Positivesplash10-008j-3401900000-91188b84868934763b452017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cofaryloside GC-MS (2 TMS) - 70eV, Positivesplash10-05fu-9441116000-4074d3fd5f6c1c74bd052017-10-06Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 10V, Positive-QTOFsplash10-0frj-0209310000-739970a4f0166f9c8c2d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 20V, Positive-QTOFsplash10-000i-0219200000-e506957aa4b5e85acc4c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 40V, Positive-QTOFsplash10-000i-3559100000-8241df05d19dda33f5592016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 10V, Negative-QTOFsplash10-0il0-0109330000-7a60523fdb6d7d39fe2a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 20V, Negative-QTOFsplash10-0h9r-2309300000-32361b19904e179793302016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 40V, Negative-QTOFsplash10-0znc-7109000000-7180ecadf02bea99e1692016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 10V, Negative-QTOFsplash10-03di-0002090000-764df8c28fa16d24a6ac2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 20V, Negative-QTOFsplash10-03di-3307390000-862cf6d6c3d52bdf55862021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 40V, Negative-QTOFsplash10-0pb9-7109010000-ff98f5156b461afb6d9d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 10V, Positive-QTOFsplash10-014i-0103390000-3f8640ab76a9da78aa422021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 20V, Positive-QTOFsplash10-00rj-1609210000-a3dbaa110cd9b6449e272021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cofaryloside 40V, Positive-QTOFsplash10-0a4i-9212010000-05e549aea342add32e972021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013725
KNApSAcK IDNot Available
Chemspider ID74886412
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131751664
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1847631
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.