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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:39:51 UTC

Update Date

2022-03-07 02:56:28 UTC

HMDB ID

HMDB0040125

Secondary Accession Numbers

HMDB40125

Metabolite Identification

Common Name

Carthamidin 6,7-diglucoside

Description

Carthamidin 6,7-diglucoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Carthamidin 6,7-diglucoside has been detected, but not quantified in, fats and oils and herbs and spices. This could make carthamidin 6,7-diglucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Carthamidin 6,7-diglucoside.

Structure

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


  Mrv0541 05061311382D          

 43 47  0  0  0  0            999 V2000
    0.0000    0.8250    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
   -1.4289    0.0000    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
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    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
   -1.4289    0.8250    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
    0.7145   -0.4125    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
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    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
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724   -1.2375    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
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    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    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    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
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
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 25 14  2  0  0  0  0
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 41 26  1  0  0  0  0
 42 16  1  0  0  0  0
 42 27  1  0  0  0  0
 43 25  1  0  0  0  0
 43 27  1  0  0  0  0
M  END

HMDB0040125
     RDKit          3D
Carthamidin 6,7-diglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
    3.2503   -3.5275    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046   -2.3359   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5654   -1.6643   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -0.4406    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9436    0.2468   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    0.0736    0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    0.7112    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3922    1.5248   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6184    2.1591   -0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    1.6839   -1.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1059    1.0563   -1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5551    0.3886    0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -0.1134   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5674   -4.2080    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
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 38 72  1  0
 39 73  1  0
 40 74  1  0
 42 75  1  0
M  END


  Mrv0541 05061311382D          

 43 47  0  0  0  0            999 V2000
    0.0000    0.8250    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
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    0.7145   -1.2375    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
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    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    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
    4.2868    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
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  2  0  0  0  0
  9  1  2  0  0  0  0
  9  2  1  0  0  0  0
 10  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  5  1  0  0  0  0
 12  9  1  0  0  0  0
 13  6  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 11  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  2  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 14  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28  7  1  0  0  0  0
 29  8  1  0  0  0  0
 30 10  1  0  0  0  0
 31 11  2  0  0  0  0
 32 18  1  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35 21  1  0  0  0  0
 36 22  1  0  0  0  0
 37 23  1  0  0  0  0
 38 24  1  0  0  0  0
 39 12  1  0  0  0  0
 39 13  1  0  0  0  0
 40 14  1  0  0  0  0
 40 26  1  0  0  0  0
 41 15  1  0  0  0  0
 41 26  1  0  0  0  0
 42 16  1  0  0  0  0
 42 27  1  0  0  0  0
 43 25  1  0  0  0  0
 43 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040125

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H32O16/c28-7-15-18(32)21(35)23(37)26(41-15)40-14-6-13-17(11(31)5-12(39-13)9-1-3-10(30)4-2-9)20(34)25(14)43-27-24(38)22(36)19(33)16(8-29)42-27/h1-4,6,12,15-16,18-19,21-24,26-30,32-38H,5,7-8H2

> <INCHI_KEY>
YIVXUBJSZSRYMU-UHFFFAOYSA-N

> <FORMULA>
C27H32O16

> <MOLECULAR_WEIGHT>
612.5334

> <EXACT_MASS>
612.169034976

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
59.509963546719895

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-hydroxy-2-(4-hydroxyphenyl)-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
-1.12

> <JCHEM_LOGP>
-2.0045934580000004

> <ALOGPS_LOGS>
-1.83

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.324306069018641

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.406223670840069

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0742520593802816

> <JCHEM_POLAR_SURFACE_AREA>
265.5199999999999

> <JCHEM_REFRACTIVITY>
137.55949999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.13e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-2-(4-hydroxyphenyl)-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,3-dihydro-1-benzopyran-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040125
     RDKit          3D
Carthamidin 6,7-diglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
    3.2503   -3.5275    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046   -2.3359   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5654   -1.6643   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -0.4406    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9436    0.2468   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    0.0736    0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    0.7112    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3922    1.5248   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6184    2.1591   -0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    1.6839   -1.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1059    1.0563   -1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5551    0.3886    0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -0.1134   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1538    0.7009    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143    0.1436   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2096    0.9640   -0.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573    2.3477    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    2.8624   -1.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    4.2174   -1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    4.8514   -2.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1783    4.6608   -2.7937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4494    4.8696   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    6.2116    0.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4426    4.2291    1.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6965    4.4087    1.8705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305    2.7667    1.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2956    2.0025    1.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -1.2041   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148   -1.7956   -0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301   -2.2947    0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -3.6988    0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4663   -4.2207    1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2232   -5.6498    1.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267   -6.4317    0.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5674   -4.2080    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8212   -4.1547    0.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037   -2.9418   -0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440   -3.1845   -1.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540   -1.9123    0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7597   -0.6803   -0.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -2.0109   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   -3.3395   -0.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1089   -1.4880   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4549   -2.3039   -0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222   -1.3492   -1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515   -0.8689    1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8925   -0.5568    1.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0480    0.5707    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8011    3.0756   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672    2.3188   -2.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897    1.1858   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    1.7455    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969    2.8616    0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978    4.4620   -0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    5.9436   -2.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    4.4259   -3.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    5.4184   -2.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    4.9148   -0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816    6.5462    0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136    4.7696    1.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    3.6118    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072    2.4693    2.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755    2.1452    0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521   -1.9594    1.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7525   -3.6586    2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4575   -5.7525    2.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393   -6.1416    2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -6.4435    0.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -5.1041   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2561   -5.0458    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -2.5843   -1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9756   -4.1367   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3830   -1.8910    1.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095   -0.3507   -0.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566   -4.1016   -0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 28 41  1  0
 41 42  1  0
 41 43  2  0
 43  2  1  0
 11  5  1  0
 43 13  1  0
 26 17  1  0
 39 30  1  0
  3 44  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 14 52  1  0
 17 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 30 64  1  0
 32 65  1  0
 33 66  1  0
 33 67  1  0
 34 68  1  0
 35 69  1  0
 36 70  1  0
 37 71  1  0
 38 72  1  0
 39 73  1  0
 40 74  1  0
 42 75  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       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.003  -2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      12.003   3.850   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       8.002   6.160   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      13.337   0.000   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.335   4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       8.002   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
CONECT    1    3    9                                                       
CONECT    2    4    9                                                       
CONECT    3    1   10                                                       
CONECT    4    2   10                                                       
CONECT    5   11   12                                                       
CONECT    6   13   14                                                       
CONECT    7   15   28                                                       
CONECT    8   16   29                                                       
CONECT    9    1    2   12                                                  
CONECT   10    3    4   30                                                  
CONECT   11    5   17   31                                                  
CONECT   12    5    9   39                                                  
CONECT   13    6   17   39                                                  
CONECT   14    6   25   40                                                  
CONECT   15    7   18   41                                                  
CONECT   16    8   19   42                                                  
CONECT   17   11   13   20                                                  
CONECT   18   15   21   32                                                  
CONECT   19   16   22   33                                                  
CONECT   20   17   25   34                                                  
CONECT   21   18   23   35                                                  
CONECT   22   19   24   36                                                  
CONECT   23   21   26   37                                                  
CONECT   24   22   27   38                                                  
CONECT   25   14   20   43                                                  
CONECT   26   23   40   41                                                  
CONECT   27   24   42   43                                                  
CONECT   28    7                                                            
CONECT   29    8                                                            
CONECT   30   10                                                            
CONECT   31   11                                                            
CONECT   32   18                                                            
CONECT   33   19                                                            
CONECT   34   20                                                            
CONECT   35   21                                                            
CONECT   36   22                                                            
CONECT   37   23                                                            
CONECT   38   24                                                            
CONECT   39   12   13                                                       
CONECT   40   14   26                                                       
CONECT   41   15   26                                                       
CONECT   42   16   27                                                       
CONECT   43   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

COMPND    HMDB0040125
HETATM    1  O1  UNL     1       3.250  -3.528   0.041  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.305  -2.336  -0.256  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.565  -1.664  -0.685  1.00  0.00           C  
HETATM    4  C3  UNL     1       4.672  -0.441   0.237  1.00  0.00           C  
HETATM    5  C4  UNL     1       5.944   0.247  -0.021  1.00  0.00           C  
HETATM    6  C5  UNL     1       6.987   0.074   0.854  1.00  0.00           C  
HETATM    7  C6  UNL     1       8.216   0.711   0.643  1.00  0.00           C  
HETATM    8  C7  UNL     1       8.392   1.525  -0.451  1.00  0.00           C  
HETATM    9  O2  UNL     1       9.618   2.159  -0.659  1.00  0.00           O  
HETATM   10  C8  UNL     1       7.329   1.684  -1.317  1.00  0.00           C  
HETATM   11  C9  UNL     1       6.106   1.056  -1.118  1.00  0.00           C  
HETATM   12  O3  UNL     1       3.555   0.389   0.063  1.00  0.00           O  
HETATM   13  C10 UNL     1       2.286  -0.113  -0.039  1.00  0.00           C  
HETATM   14  C11 UNL     1       1.154   0.701   0.014  1.00  0.00           C  
HETATM   15  C12 UNL     1      -0.114   0.144  -0.095  1.00  0.00           C  
HETATM   16  O4  UNL     1      -1.210   0.964  -0.040  1.00  0.00           O  
HETATM   17  C13 UNL     1      -1.257   2.348   0.120  1.00  0.00           C  
HETATM   18  O5  UNL     1      -1.798   2.862  -1.086  1.00  0.00           O  
HETATM   19  C14 UNL     1      -1.555   4.217  -1.062  1.00  0.00           C  
HETATM   20  C15 UNL     1      -1.849   4.851  -2.428  1.00  0.00           C  
HETATM   21  O6  UNL     1      -3.178   4.661  -2.794  1.00  0.00           O  
HETATM   22  C16 UNL     1      -2.449   4.870  -0.064  1.00  0.00           C  
HETATM   23  O7  UNL     1      -2.039   6.212   0.058  1.00  0.00           O  
HETATM   24  C17 UNL     1      -2.443   4.229   1.287  1.00  0.00           C  
HETATM   25  O8  UNL     1      -3.696   4.409   1.871  1.00  0.00           O  
HETATM   26  C18 UNL     1      -2.130   2.767   1.278  1.00  0.00           C  
HETATM   27  O9  UNL     1      -3.296   2.002   1.210  1.00  0.00           O  
HETATM   28  C19 UNL     1      -0.295  -1.204  -0.256  1.00  0.00           C  
HETATM   29  O10 UNL     1      -1.515  -1.796  -0.368  1.00  0.00           O  
HETATM   30  C20 UNL     1      -2.330  -2.295   0.641  1.00  0.00           C  
HETATM   31  O11 UNL     1      -2.284  -3.699   0.714  1.00  0.00           O  
HETATM   32  C21 UNL     1      -3.466  -4.221   1.233  1.00  0.00           C  
HETATM   33  C22 UNL     1      -3.223  -5.650   1.620  1.00  0.00           C  
HETATM   34  O12 UNL     1      -2.827  -6.432   0.529  1.00  0.00           O  
HETATM   35  C23 UNL     1      -4.567  -4.208   0.169  1.00  0.00           C  
HETATM   36  O13 UNL     1      -5.821  -4.155   0.754  1.00  0.00           O  
HETATM   37  C24 UNL     1      -4.304  -2.942  -0.644  1.00  0.00           C  
HETATM   38  O14 UNL     1      -3.244  -3.185  -1.539  1.00  0.00           O  
HETATM   39  C25 UNL     1      -3.754  -1.912   0.357  1.00  0.00           C  
HETATM   40  O15 UNL     1      -3.760  -0.680  -0.286  1.00  0.00           O  
HETATM   41  C26 UNL     1       0.857  -2.011  -0.308  1.00  0.00           C  
HETATM   42  O16 UNL     1       0.655  -3.339  -0.469  1.00  0.00           O  
HETATM   43  C27 UNL     1       2.109  -1.488  -0.203  1.00  0.00           C  
HETATM   44  H1  UNL     1       5.455  -2.304  -0.529  1.00  0.00           H  
HETATM   45  H2  UNL     1       4.522  -1.349  -1.753  1.00  0.00           H  
HETATM   46  H3  UNL     1       4.652  -0.869   1.274  1.00  0.00           H  
HETATM   47  H4  UNL     1       6.892  -0.557   1.728  1.00  0.00           H  
HETATM   48  H5  UNL     1       9.048   0.571   1.345  1.00  0.00           H  
HETATM   49  H6  UNL     1       9.801   3.076  -0.275  1.00  0.00           H  
HETATM   50  H7  UNL     1       7.467   2.319  -2.171  1.00  0.00           H  
HETATM   51  H8  UNL     1       5.290   1.186  -1.793  1.00  0.00           H  
HETATM   52  H9  UNL     1       1.358   1.745   0.141  1.00  0.00           H  
HETATM   53  H10 UNL     1      -0.297   2.862   0.233  1.00  0.00           H  
HETATM   54  H11 UNL     1      -0.498   4.462  -0.827  1.00  0.00           H  
HETATM   55  H12 UNL     1      -1.677   5.944  -2.394  1.00  0.00           H  
HETATM   56  H13 UNL     1      -1.183   4.426  -3.212  1.00  0.00           H  
HETATM   57  H14 UNL     1      -3.706   5.418  -2.462  1.00  0.00           H  
HETATM   58  H15 UNL     1      -3.473   4.915  -0.498  1.00  0.00           H  
HETATM   59  H16 UNL     1      -2.182   6.546   0.970  1.00  0.00           H  
HETATM   60  H17 UNL     1      -1.714   4.770   1.939  1.00  0.00           H  
HETATM   61  H18 UNL     1      -4.255   3.612   1.678  1.00  0.00           H  
HETATM   62  H19 UNL     1      -1.607   2.469   2.210  1.00  0.00           H  
HETATM   63  H20 UNL     1      -3.675   2.145   0.310  1.00  0.00           H  
HETATM   64  H21 UNL     1      -1.952  -1.959   1.634  1.00  0.00           H  
HETATM   65  H22 UNL     1      -3.753  -3.659   2.129  1.00  0.00           H  
HETATM   66  H23 UNL     1      -2.457  -5.752   2.416  1.00  0.00           H  
HETATM   67  H24 UNL     1      -4.139  -6.142   2.026  1.00  0.00           H  
HETATM   68  H25 UNL     1      -1.823  -6.444   0.538  1.00  0.00           H  
HETATM   69  H26 UNL     1      -4.414  -5.104  -0.462  1.00  0.00           H  
HETATM   70  H27 UNL     1      -6.256  -5.046   0.562  1.00  0.00           H  
HETATM   71  H28 UNL     1      -5.208  -2.584  -1.143  1.00  0.00           H  
HETATM   72  H29 UNL     1      -2.976  -4.137  -1.536  1.00  0.00           H  
HETATM   73  H30 UNL     1      -4.383  -1.891   1.270  1.00  0.00           H  
HETATM   74  H31 UNL     1      -4.709  -0.351  -0.307  1.00  0.00           H  
HETATM   75  H32 UNL     1       1.257  -4.102  -0.547  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   43
CONECT    3    4   44   45
CONECT    4    5   12   46
CONECT    5    6    6   11
CONECT    6    7   47
CONECT    7    8    8   48
CONECT    8    9   10
CONECT    9   49
CONECT   10   11   11   50
CONECT   11   51
CONECT   12   13
CONECT   13   14   14   43
CONECT   14   15   52
CONECT   15   16   28   28
CONECT   16   17
CONECT   17   18   26   53
CONECT   18   19
CONECT   19   20   22   54
CONECT   20   21   55   56
CONECT   21   57
CONECT   22   23   24   58
CONECT   23   59
CONECT   24   25   26   60
CONECT   25   61
CONECT   26   27   62
CONECT   27   63
CONECT   28   29   41
CONECT   29   30
CONECT   30   31   39   64
CONECT   31   32
CONECT   32   33   35   65
CONECT   33   34   66   67
CONECT   34   68
CONECT   35   36   37   69
CONECT   36   70
CONECT   37   38   39   71
CONECT   38   72
CONECT   39   40   73
CONECT   40   74
CONECT   41   42   43   43
CONECT   42   75
END

HMDB0040125
     RDKit          3D
Carthamidin 6,7-diglucoside
 75 79  0  0  0  0  0  0  0  0999 V2000
    3.2503   -3.5275    0.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3046   -2.3359   -0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5654   -1.6643   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6719   -0.4406    0.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9436    0.2468   -0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    0.0736    0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2155    0.7112    0.6435 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3922    1.5248   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6184    2.1591   -0.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3289    1.6839   -1.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1059    1.0563   -1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5551    0.3886    0.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -0.1134   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1538    0.7009    0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143    0.1436   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2096    0.9640   -0.0402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2573    2.3477    0.1198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    2.8624   -1.0860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    4.2174   -1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8485    4.8514   -2.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1783    4.6608   -2.7937 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4494    4.8696   -0.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0387    6.2116    0.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4426    4.2291    1.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6965    4.4087    1.8705 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1305    2.7667    1.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2956    2.0025    1.2103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949   -1.2041   -0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148   -1.7956   -0.3679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301   -2.2947    0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2840   -3.6988    0.7141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4663   -4.2207    1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2232   -5.6498    1.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8267   -6.4317    0.5288 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5674   -4.2080    0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8212   -4.1547    0.7541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037   -2.9418   -0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2440   -3.1845   -1.5385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7540   -1.9123    0.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7597   -0.6803   -0.2857 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -2.0109   -0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6553   -3.3395   -0.4693 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1089   -1.4880   -0.2029 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4549   -2.3039   -0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5222   -1.3492   -1.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6515   -0.8689    1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8925   -0.5568    1.7277 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0480    0.5707    1.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8011    3.0756   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4672    2.3188   -2.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2897    1.1858   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    1.7455    0.1407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2969    2.8616    0.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4978    4.4620   -0.8275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    5.9436   -2.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1833    4.4259   -3.2124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7056    5.4184   -2.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    4.9148   -0.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1816    6.5462    0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7136    4.7696    1.9393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    3.6118    1.6778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072    2.4693    2.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755    2.1452    0.3098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521   -1.9594    1.6345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7525   -3.6586    2.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4575   -5.7525    2.4156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1393   -6.1416    2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8230   -6.4435    0.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4143   -5.1041   -0.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2561   -5.0458    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2083   -2.5843   -1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9756   -4.1367   -1.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3830   -1.8910    1.2704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095   -0.3507   -0.3072 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566   -4.1016   -0.5466 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 15 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 28 41  1  0
 41 42  1  0
 41 43  2  0
 43  2  1  0
 11  5  1  0
 43 13  1  0
 26 17  1  0
 39 30  1  0
  3 44  1  0
  3 45  1  0
  4 46  1  0
  6 47  1  0
  7 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 14 52  1  0
 17 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 25 61  1  0
 26 62  1  0
 27 63  1  0
 30 64  1  0
 32 65  1  0
 33 66  1  0
 33 67  1  0
 34 68  1  0
 35 69  1  0
 36 70  1  0
 37 71  1  0
 38 72  1  0
 39 73  1  0
 40 74  1  0
 42 75  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₂O₁₆

Average Molecular Weight

612.5334

Monoisotopic Molecular Weight

612.169034976

IUPAC Name

5-hydroxy-2-(4-hydroxyphenyl)-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-3,4-dihydro-2H-1-benzopyran-4-one

Traditional Name

5-hydroxy-2-(4-hydroxyphenyl)-6,7-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,3-dihydro-1-benzopyran-4-one

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H32O16/c28-7-15-18(32)21(35)23(37)26(41-15)40-14-6-13-17(11(31)5-12(39-13)9-1-3-10(30)4-2-9)20(34)25(14)43-27-24(38)22(36)19(33)16(8-29)42-27/h1-4,6,12,15-16,18-19,21-24,26-30,32-38H,5,7-8H2

InChI Key

YIVXUBJSZSRYMU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
4'-hydroxyflavonoid
5-hydroxyflavonoid
Flavanone
Hydroxyflavonoid
Flavan
Phenolic glycoside
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Chromane
Benzopyran
1-benzopyran
Aryl alkyl ketone
Aryl ketone
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Oxane
Benzenoid
Monosaccharide
Monocyclic benzene moiety
Vinylogous acid
Secondary alcohol
Ketone
Polyol
Acetal
Organoheterocyclic compound
Ether
Oxacycle
Primary alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040125)
Cytoplasm (HMDB: HMDB0040125)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040125)

Source

Exogenous

Food

Food (HMDB: HMDB0040125)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Endogenous

Plant

Plant (HMDB: HMDB0040125)

Not Available

Nutrient (HMDB: HMDB0040125)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	207 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	9.13 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-2	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	9.41	ChemAxon
pKa (Strongest Basic)	-3.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	265.52 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	137.56 m³·mol⁻¹	ChemAxon
Polarizability	59.51 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	238.74	31661259
DarkChem	[M-H]-	229.696	31661259
DeepCCS	[M+H]+	235.992	30932474
DeepCCS	[M-H]-	233.597	30932474
DeepCCS	[M-2H]-	266.819	30932474
DeepCCS	[M+Na]+	241.895	30932474
AllCCS	[M+H]+	232.4	32859911
AllCCS	[M+H-H2O]+	231.2	32859911
AllCCS	[M+NH4]+	233.4	32859911
AllCCS	[M+Na]+	233.7	32859911
AllCCS	[M-H]-	227.3	32859911
AllCCS	[M+Na-2H]-	229.5	32859911
AllCCS	[M+HCOO]-	232.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Carthamidin 6,7-diglucoside	OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	4973.2	Standard polar	33892256
Carthamidin 6,7-diglucoside	OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	5221.3	Standard non polar	33892256
Carthamidin 6,7-diglucoside	OCC1OC(OC2=C(OC3OC(CO)C(O)C(O)C3O)C(O)=C3C(=O)CC(OC3=C2)C2=CC=C(O)C=C2)C(O)C(O)C1O	5646.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Carthamidin 6,7-diglucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	5453.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #10	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	5467.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5455.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #3	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5466.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #4	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C1O	5455.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O	5476.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #6	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5439.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5516.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #8	C[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O	5473.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TMS,isomer #9	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C1O	5456.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	5334.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5340.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5323.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5350.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5334.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O)C(O)C1O	5410.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C(O)C1O	5365.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O[Si](C)(C)C)C1O	5329.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O[Si](C)(C)C	5347.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #18	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5345.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #19	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5327.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O	5344.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #20	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5358.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #21	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5344.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O)O2)C=C1	5396.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C1O	5356.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #24	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O[Si](C)(C)C	5345.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #25	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5325.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #26	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	5301.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #27	C[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	5339.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #28	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5320.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O)O2)C=C1	5369.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5339.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #30	C[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O[Si](C)(C)C	5375.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #31	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5360.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #32	C[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O	5342.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #33	C[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	5374.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #34	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5359.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O)O2)C=C1	5399.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #36	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5345.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #37	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5320.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #38	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5359.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O[Si](C)(C)C)O2)C=C1	5386.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5319.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #40	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5396.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #41	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5370.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #42	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5397.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5356.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #44	C[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	5374.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5349.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5349.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	5410.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5364.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5332.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5347.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O	5182.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5186.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #100	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O)O2)C=C1	5342.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #101	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5245.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #102	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O)O2)C=C1	5324.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #103	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5301.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #104	C[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O	5276.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #105	C[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O	5314.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #106	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5205.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #107	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O)O2)C=C1	5294.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #108	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5258.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #109	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O)O2)C=C1	5337.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5232.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #110	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O[Si](C)(C)C)O2)C=C1	5313.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #111	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5230.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #112	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5258.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O[Si](C)(C)C)O2)C=C1	5305.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #114	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5258.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O[Si](C)(C)C)O2)C=C1	5262.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O[Si](C)(C)C)O2)C=C1	5312.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #117	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5317.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5338.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #119	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5346.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O	5308.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #120	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5330.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5239.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5186.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5217.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5228.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5242.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5317.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5273.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5209.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5221.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5249.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5257.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5286.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5240.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5189.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5217.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5327.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5282.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5233.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5165.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5260.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5353.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5301.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5332.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5285.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5280.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5256.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5229.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5252.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5209.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5214.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O)C(O)C1O	5318.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C(O)C1O	5269.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O[Si](C)(C)C)C1O	5222.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O[Si](C)(C)C	5252.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5267.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5166.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O)C(O)C1O	5285.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C(O)C1O	5238.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O[Si](C)(C)C)C1O	5191.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O[Si](C)(C)C	5220.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	5286.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5218.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O)C(O)C1O	5332.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C(O)C1O	5285.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O[Si](C)(C)C)C1O	5239.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O[Si](C)(C)C	5269.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O)C(O)C1O	5285.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C(O)C1O	5234.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O[Si](C)(C)C)C1O	5189.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O[Si](C)(C)C	5220.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O[Si](C)(C)C)C(O)C1O	5349.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5239.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O)C(O[Si](C)(C)C)C1O	5302.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #61	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O[Si](C)(C)C)C=C2)CC3=O)C(O)C(O)C1O[Si](C)(C)C	5333.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #62	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5280.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #63	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5279.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #64	C[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5258.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #65	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5240.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #66	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5266.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #67	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5285.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O)O2)C=C1	5315.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #69	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5291.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5191.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #70	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5267.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #71	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5303.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #72	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5200.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O)O2)C=C1	5283.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #74	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C1O	5254.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #75	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	5236.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #76	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5248.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O)O2)C=C1	5327.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #78	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C1O	5298.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #79	C[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(CO)C(O)C1O	5280.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5219.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #80	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5229.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #81	C[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5255.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #82	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O[Si](C)(C)C)O2)C=C1	5305.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #83	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O)O2)C=C1	5318.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O)O2)C=C1	5334.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #85	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5322.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #86	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5198.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #87	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5297.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #88	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O)O2)C=C1	5283.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #89	C[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5259.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5219.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #90	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C1O	5238.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #91	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5150.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #92	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	5264.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #93	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O)O2)C=C1	5245.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #94	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C1O	5270.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #95	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5204.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #96	C[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OC(CO)C(O)C1O	5313.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #97	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O)O2)C=C1	5297.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #98	C[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5255.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,3TMS,isomer #99	C[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O[Si](C)(C)C)O2)C=C1	5262.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	5676.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O	5727.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5677.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5727.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C1O	5714.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O	5726.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5676.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5745.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O	5725.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C1O	5715.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O[Si](C)(C)C(C)(C)C)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	5732.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5766.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5747.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5768.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O	5731.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)CC3=O)C(O)C(O)C1O	5819.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5781.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5766.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5766.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5811.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5792.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)C(O)C1O	5733.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O	5814.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5774.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O)O2)C=C1	5836.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O[Si](C)(C)C(C)(C)C)C1O	5813.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)C(O)C1O[Si](C)(C)C(C)(C)C	5798.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5792.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	5768.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(CO)C(O)C1O	5792.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5755.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O)O2)C=C1	5826.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5766.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O)C2O)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5827.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5810.2	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C3=C(C=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)OC(C2=CC=C(O)C=C2)CC3=O)OC(CO)C(O)C1O	5789.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	5815.5	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5773.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O)O2)C=C1	5831.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5774.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5756.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=CC2=C1C(=O)CC(C1=CC=C(O)C=C1)O2	5769.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O[Si](C)(C)C(C)(C)C)O2)C=C1	5804.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5745.6	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5836.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5826.9	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC=C(C2CC(=O)C3=C(C=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O)O2)C=C1	5832.3	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5818.7	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5834.4	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5800.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5765.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O[Si](C)(C)C(C)(C)C)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O	5819.8	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5784.1	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5767.0	Semi standard non polar	33892256
Carthamidin 6,7-diglucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC3=C(C(=O)CC(C4=CC=C(O)C=C4)O3)C(O)=C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5766.6	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 - Carthamidin 6,7-diglucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0ukd-2300290000-b50130dcd14f27b695b3	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Carthamidin 6,7-diglucoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	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 - Carthamidin 6,7-diglucoside 10V, Positive-QTOF	splash10-0gx1-0120921000-23bf36a95d89ec219292	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 20V, Positive-QTOF	splash10-0019-0291800000-3a9e0f755ed6b9a300ff	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 40V, Positive-QTOF	splash10-000i-1392310000-4c5cbf6b1f5488fac801	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 10V, Negative-QTOF	splash10-03dj-1302946000-5b993750cda94f34d153	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 20V, Negative-QTOF	splash10-000t-1232930000-80454ce80e485711b6eb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 40V, Negative-QTOF	splash10-002r-4593400000-e84b8e8cf4d46b716fde	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 10V, Positive-QTOF	splash10-0w29-0000905000-d4777a226fe94e9b19f9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 20V, Positive-QTOF	splash10-0udi-0000900000-2943db2e6a741302d818	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 40V, Positive-QTOF	splash10-0ue9-0008900000-dc79b7d50d529cd80a4e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 10V, Negative-QTOF	splash10-03di-0000309000-09c80b88bc0431c87827	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 20V, Negative-QTOF	splash10-01ot-0001907000-3cc24efb8c67470098c6	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Carthamidin 6,7-diglucoside 40V, Negative-QTOF	splash10-002b-0306902000-6ef432ba368163ebebff	2021-09-22	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

FDB019818

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

74819427

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Carthamidin 6,7-diglucoside (HMDB0040125)

MOL for HMDB0040125 (Carthamidin 6,7-diglucoside)

3D MOL for HMDB0040125 (Carthamidin 6,7-diglucoside)

3D SDF for HMDB0040125 (Carthamidin 6,7-diglucoside)

3D-SDF for HMDB0040125 (Carthamidin 6,7-diglucoside)

PDB for HMDB0040125 (Carthamidin 6,7-diglucoside)

3D PDB for HMDB0040125 (Carthamidin 6,7-diglucoside)

SMILES for HMDB0040125 (Carthamidin 6,7-diglucoside)

INCHI for HMDB0040125 (Carthamidin 6,7-diglucoside)

Structure for HMDB0040125 (Carthamidin 6,7-diglucoside)

3D Structure for HMDB0040125 (Carthamidin 6,7-diglucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra