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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:53:58 UTC

Update Date

2022-03-07 02:56:34 UTC

HMDB ID

HMDB0040371

Secondary Accession Numbers

HMDB40371

Metabolite Identification

Common Name

Herbacetin 3,8-diglucoside

Description

Herbacetin 3,8-diglucoside belongs to the class of organic compounds known as flavonoid-8-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C8-position. Based on a literature review very few articles have been published on Herbacetin 3,8-diglucoside.

Structure

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


  Mrv0541 05061311472D          

 44 48  0  0  0  0            999 V2000
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7145   -2.8875    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
    3.5724    2.0625    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
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    3.3000    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
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   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    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
  8  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
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 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
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 41 13  1  0  0  0  0
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 42 24  1  0  0  0  0
 43 23  1  0  0  0  0
 43 26  1  0  0  0  0
 44 25  1  0  0  0  0
 44 27  1  0  0  0  0
M  END

HMDB0040371
     RDKit          3D
Herbacetin 3,8-diglucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
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   -2.1145    1.6438   -0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.1804   -2.6320   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448   -3.5197    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2092   -3.4116    1.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249   -4.3817    2.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3937   -3.5598   -0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
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 43 74  1  0
M  END


  Mrv0541 05061311472D          

 44 48  0  0  0  0            999 V2000
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   -3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    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
  8  1  2  0  0  0  0
  8  2  1  0  0  0  0
  9  3  2  0  0  0  0
  9  4  1  0  0  0  0
 10  5  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22  8  1  0  0  0  0
 23 11  2  0  0  0  0
 24 14  2  0  0  0  0
 24 23  1  0  0  0  0
 25 17  1  0  0  0  0
 25 22  2  0  0  0  0
 26 20  1  0  0  0  0
 27 21  1  0  0  0  0
 28  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30  9  1  0  0  0  0
 31 10  1  0  0  0  0
 32 11  1  0  0  0  0
 33 15  1  0  0  0  0
 34 16  1  0  0  0  0
 35 17  2  0  0  0  0
 36 18  1  0  0  0  0
 37 19  1  0  0  0  0
 38 20  1  0  0  0  0
 39 21  1  0  0  0  0
 40 12  1  0  0  0  0
 40 26  1  0  0  0  0
 41 13  1  0  0  0  0
 41 27  1  0  0  0  0
 42 22  1  0  0  0  0
 42 24  1  0  0  0  0
 43 23  1  0  0  0  0
 43 26  1  0  0  0  0
 44 25  1  0  0  0  0
 44 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040371

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2

> <INCHI_KEY>
VMOKZQAQPBUNRW-UHFFFAOYSA-N

> <FORMULA>
C27H30O17

> <MOLECULAR_WEIGHT>
626.5169

> <EXACT_MASS>
626.148299534

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
59.03079024098043

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one

> <ALOGPS_LOGP>
-0.81

> <JCHEM_LOGP>
-2.412903389333334

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.502809658235991

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.819461851778007

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648395395250552

> <JCHEM_POLAR_SURFACE_AREA>
285.75

> <JCHEM_REFRACTIVITY>
141.41989999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.30e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040371
     RDKit          3D
Herbacetin 3,8-diglucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
   -3.2450    1.9780   -0.7395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145    1.6438   -0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6817    0.3130   -0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -0.5477   -1.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5421   -1.3642   -0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1804   -2.6320   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448   -3.5197    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2092   -3.4116    1.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249   -4.3817    2.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3937   -3.5598   -0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8052   -4.8275   -0.7754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3624   -2.6921   -1.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4335   -3.2960   -2.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7970   -1.3213   -1.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6322   -0.6064   -2.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294    0.0363   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329   -1.2859   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -2.2471   -1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116   -3.4927   -1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551   -3.8197   -0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593   -5.0899   -0.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539   -2.8192    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707   -1.5902    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    0.9607    0.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474    2.1953    0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140    3.0991    1.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344    2.6285    1.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2029    2.6370    0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4786    1.3290    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125    1.1296   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5235    0.2825   -1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487   -0.9415   -1.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4571    2.3487   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.9679   -0.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4063    3.5111    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417    3.8954    0.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4199    3.1743    1.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950    4.2661    2.4231 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4084    4.3914    1.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837    5.3085    2.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    4.7943    1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6807    3.8948    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8984    4.3432    0.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052    2.5690    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7439   -0.8734    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -4.5535    0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4886   -2.4032    2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323   -3.6650    2.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0593   -4.1283    2.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1324   -3.0918    0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3149   -5.2617   -1.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3208   -2.6643   -2.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910   -4.0794   -3.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790   -0.7806   -0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1359   -1.0384   -3.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -2.0534   -1.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0679   -4.2435   -1.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -5.7644    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -3.0972    1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187   -0.8437    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0210    3.1848   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3536    0.4806    0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9015    0.8086   -2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5103    0.0820   -1.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2285   -1.2617   -0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503    2.6349   -1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    1.2148    0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201    4.3631   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6867    4.8961    0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    2.4094    2.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428    4.3736    2.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    6.2578    2.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1326    5.8123    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6978    4.0338   -0.3191 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 26 39  1  0
 39 40  1  0
 39 41  2  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 44  2  1  0
 14  5  1  0
 23 17  1  0
 44 25  1  0
 37 28  1  0
  5 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 14 54  1  0
 15 55  1  0
 18 56  1  0
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 22 59  1  0
 23 60  1  0
 28 61  1  0
 30 62  1  0
 31 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 34 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 38 71  1  0
 40 72  1  0
 41 73  1  0
 43 74  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       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.335   4.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.335   6.160   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -8.002   4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -6.668   6.930   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -4.001   8.470   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -1.334   6.930   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1    3    8                                                       
CONECT    2    4    8                                                       
CONECT    3    1    9                                                       
CONECT    4    2    9                                                       
CONECT    5   10   11                                                       
CONECT    6   12   28                                                       
CONECT    7   13   29                                                       
CONECT    8    1    2   22                                                  
CONECT    9    3    4   30                                                  
CONECT   10    5   14   31                                                  
CONECT   11    5   23   32                                                  
CONECT   12    6   15   40                                                  
CONECT   13    7   16   41                                                  
CONECT   14   10   17   24                                                  
CONECT   15   12   18   33                                                  
CONECT   16   13   19   34                                                  
CONECT   17   14   25   35                                                  
CONECT   18   15   20   36                                                  
CONECT   19   16   21   37                                                  
CONECT   20   18   26   38                                                  
CONECT   21   19   27   39                                                  
CONECT   22    8   25   42                                                  
CONECT   23   11   24   43                                                  
CONECT   24   14   23   42                                                  
CONECT   25   17   22   44                                                  
CONECT   26   20   40   43                                                  
CONECT   27   21   41   44                                                  
CONECT   28    6                                                            
CONECT   29    7                                                            
CONECT   30    9                                                            
CONECT   31   10                                                            
CONECT   32   11                                                            
CONECT   33   15                                                            
CONECT   34   16                                                            
CONECT   35   17                                                            
CONECT   36   18                                                            
CONECT   37   19                                                            
CONECT   38   20                                                            
CONECT   39   21                                                            
CONECT   40   12   26                                                       
CONECT   41   13   27                                                       
CONECT   42   22   24                                                       
CONECT   43   23   26                                                       
CONECT   44   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0040371
HETATM    1  O1  UNL     1      -3.245   1.978  -0.740  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.114   1.644  -0.353  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.682   0.313  -0.558  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.527  -0.548  -1.172  1.00  0.00           O  
HETATM    5  C3  UNL     1      -3.542  -1.364  -0.603  1.00  0.00           C  
HETATM    6  O3  UNL     1      -3.180  -2.632  -0.307  1.00  0.00           O  
HETATM    7  C4  UNL     1      -4.045  -3.520   0.196  1.00  0.00           C  
HETATM    8  C5  UNL     1      -4.209  -3.412   1.698  1.00  0.00           C  
HETATM    9  O4  UNL     1      -5.125  -4.382   2.130  1.00  0.00           O  
HETATM   10  C6  UNL     1      -5.394  -3.560  -0.494  1.00  0.00           C  
HETATM   11  O5  UNL     1      -5.805  -4.827  -0.775  1.00  0.00           O  
HETATM   12  C7  UNL     1      -5.362  -2.692  -1.737  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.433  -3.296  -2.592  1.00  0.00           O  
HETATM   14  C8  UNL     1      -4.797  -1.321  -1.406  1.00  0.00           C  
HETATM   15  O7  UNL     1      -4.632  -0.606  -2.608  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.429   0.036  -0.102  1.00  0.00           C  
HETATM   17  C10 UNL     1       0.233  -1.286  -0.206  1.00  0.00           C  
HETATM   18  C11 UNL     1      -0.199  -2.247  -1.082  1.00  0.00           C  
HETATM   19  C12 UNL     1       0.412  -3.493  -1.097  1.00  0.00           C  
HETATM   20  C13 UNL     1       1.455  -3.820  -0.254  1.00  0.00           C  
HETATM   21  O8  UNL     1       2.059  -5.090  -0.283  1.00  0.00           O  
HETATM   22  C14 UNL     1       1.854  -2.819   0.607  1.00  0.00           C  
HETATM   23  C15 UNL     1       1.271  -1.590   0.640  1.00  0.00           C  
HETATM   24  O9  UNL     1       0.327   0.961   0.496  1.00  0.00           O  
HETATM   25  C16 UNL     1      -0.047   2.195   0.696  1.00  0.00           C  
HETATM   26  C17 UNL     1       0.814   3.099   1.327  1.00  0.00           C  
HETATM   27  O10 UNL     1       2.034   2.628   1.714  1.00  0.00           O  
HETATM   28  C18 UNL     1       3.203   2.637   0.940  1.00  0.00           C  
HETATM   29  O11 UNL     1       3.479   1.329   0.544  1.00  0.00           O  
HETATM   30  C19 UNL     1       4.713   1.130  -0.006  1.00  0.00           C  
HETATM   31  C20 UNL     1       4.523   0.283  -1.276  1.00  0.00           C  
HETATM   32  O12 UNL     1       3.949  -0.941  -1.019  1.00  0.00           O  
HETATM   33  C21 UNL     1       5.457   2.349  -0.443  1.00  0.00           C  
HETATM   34  O13 UNL     1       6.807   1.968  -0.575  1.00  0.00           O  
HETATM   35  C22 UNL     1       5.406   3.511   0.497  1.00  0.00           C  
HETATM   36  O14 UNL     1       6.642   3.895   0.979  1.00  0.00           O  
HETATM   37  C23 UNL     1       4.420   3.174   1.599  1.00  0.00           C  
HETATM   38  O15 UNL     1       4.195   4.266   2.423  1.00  0.00           O  
HETATM   39  C24 UNL     1       0.408   4.391   1.527  1.00  0.00           C  
HETATM   40  O16 UNL     1       1.284   5.308   2.170  1.00  0.00           O  
HETATM   41  C25 UNL     1      -0.824   4.794   1.114  1.00  0.00           C  
HETATM   42  C26 UNL     1      -1.681   3.895   0.486  1.00  0.00           C  
HETATM   43  O17 UNL     1      -2.898   4.343   0.093  1.00  0.00           O  
HETATM   44  C27 UNL     1      -1.305   2.569   0.265  1.00  0.00           C  
HETATM   45  H1  UNL     1      -3.744  -0.873   0.398  1.00  0.00           H  
HETATM   46  H2  UNL     1      -3.609  -4.553   0.024  1.00  0.00           H  
HETATM   47  H3  UNL     1      -4.489  -2.403   2.049  1.00  0.00           H  
HETATM   48  H4  UNL     1      -3.232  -3.665   2.199  1.00  0.00           H  
HETATM   49  H5  UNL     1      -6.059  -4.128   2.023  1.00  0.00           H  
HETATM   50  H6  UNL     1      -6.132  -3.092   0.192  1.00  0.00           H  
HETATM   51  H7  UNL     1      -5.315  -5.262  -1.524  1.00  0.00           H  
HETATM   52  H8  UNL     1      -6.321  -2.664  -2.262  1.00  0.00           H  
HETATM   53  H9  UNL     1      -4.791  -4.079  -3.050  1.00  0.00           H  
HETATM   54  H10 UNL     1      -5.579  -0.781  -0.846  1.00  0.00           H  
HETATM   55  H11 UNL     1      -5.136  -1.038  -3.357  1.00  0.00           H  
HETATM   56  H12 UNL     1      -1.012  -2.053  -1.803  1.00  0.00           H  
HETATM   57  H13 UNL     1       0.068  -4.243  -1.791  1.00  0.00           H  
HETATM   58  H14 UNL     1       1.620  -5.764   0.346  1.00  0.00           H  
HETATM   59  H15 UNL     1       2.692  -3.097   1.274  1.00  0.00           H  
HETATM   60  H16 UNL     1       1.619  -0.844   1.331  1.00  0.00           H  
HETATM   61  H17 UNL     1       3.021   3.185  -0.016  1.00  0.00           H  
HETATM   62  H18 UNL     1       5.354   0.481   0.657  1.00  0.00           H  
HETATM   63  H19 UNL     1       3.901   0.809  -2.014  1.00  0.00           H  
HETATM   64  H20 UNL     1       5.510   0.082  -1.758  1.00  0.00           H  
HETATM   65  H21 UNL     1       4.229  -1.262  -0.130  1.00  0.00           H  
HETATM   66  H22 UNL     1       5.150   2.635  -1.493  1.00  0.00           H  
HETATM   67  H23 UNL     1       7.030   1.215   0.057  1.00  0.00           H  
HETATM   68  H24 UNL     1       4.920   4.363  -0.069  1.00  0.00           H  
HETATM   69  H25 UNL     1       6.687   4.896   0.911  1.00  0.00           H  
HETATM   70  H26 UNL     1       4.958   2.409   2.231  1.00  0.00           H  
HETATM   71  H27 UNL     1       5.043   4.374   2.967  1.00  0.00           H  
HETATM   72  H28 UNL     1       0.982   6.258   2.317  1.00  0.00           H  
HETATM   73  H29 UNL     1      -1.133   5.812   1.273  1.00  0.00           H  
HETATM   74  H30 UNL     1      -3.698   4.034  -0.319  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   44
CONECT    3    4   16   16
CONECT    4    5
CONECT    5    6   14   45
CONECT    6    7
CONECT    7    8   10   46
CONECT    8    9   47   48
CONECT    9   49
CONECT   10   11   12   50
CONECT   11   51
CONECT   12   13   14   52
CONECT   13   53
CONECT   14   15   54
CONECT   15   55
CONECT   16   17   24
CONECT   17   18   18   23
CONECT   18   19   56
CONECT   19   20   20   57
CONECT   20   21   22
CONECT   21   58
CONECT   22   23   23   59
CONECT   23   60
CONECT   24   25
CONECT   25   26   26   44
CONECT   26   27   39
CONECT   27   28
CONECT   28   29   37   61
CONECT   29   30
CONECT   30   31   33   62
CONECT   31   32   63   64
CONECT   32   65
CONECT   33   34   35   66
CONECT   34   67
CONECT   35   36   37   68
CONECT   36   69
CONECT   37   38   70
CONECT   38   71
CONECT   39   40   41   41
CONECT   40   72
CONECT   41   42   73
CONECT   42   43   44   44
CONECT   43   74
END

HMDB0040371
     RDKit          3D
Herbacetin 3,8-diglucoside
 74 78  0  0  0  0  0  0  0  0999 V2000
   -3.2450    1.9780   -0.7395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1145    1.6438   -0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6817    0.3130   -0.5576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5271   -0.5477   -1.1719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5421   -1.3642   -0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1804   -2.6320   -0.3074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448   -3.5197    0.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2092   -3.4116    1.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1249   -4.3817    2.1302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3937   -3.5598   -0.4937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8052   -4.8275   -0.7754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3624   -2.6921   -1.7370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4335   -3.2960   -2.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7970   -1.3213   -1.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6322   -0.6064   -2.6084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4294    0.0363   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2329   -1.2859   -0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1991   -2.2471   -1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4116   -3.4927   -1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4551   -3.8197   -0.2543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0593   -5.0899   -0.2830 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8539   -2.8192    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707   -1.5902    0.6396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    0.9607    0.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474    2.1953    0.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8140    3.0991    1.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0344    2.6285    1.7137 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2029    2.6370    0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4786    1.3290    0.5441 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7125    1.1296   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5235    0.2825   -1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9487   -0.9415   -1.0189 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4571    2.3487   -0.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8066    1.9679   -0.5750 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4063    3.5111    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6417    3.8954    0.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4199    3.1743    1.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1950    4.2661    2.4231 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4084    4.3914    1.5269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2837    5.3085    2.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8241    4.7943    1.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6807    3.8948    0.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8984    4.3432    0.0931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052    2.5690    0.2649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7439   -0.8734    0.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6094   -4.5535    0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4886   -2.4032    2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2323   -3.6650    2.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0593   -4.1283    2.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1324   -3.0918    0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3149   -5.2617   -1.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3208   -2.6643   -2.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7910   -4.0794   -3.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790   -0.7806   -0.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1359   -1.0384   -3.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0120   -2.0534   -1.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0679   -4.2435   -1.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -5.7644    0.3463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6919   -3.0972    1.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6187   -0.8437    1.3308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0210    3.1848   -0.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3536    0.4806    0.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9015    0.8086   -2.0136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5103    0.0820   -1.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2285   -1.2617   -0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1503    2.6349   -1.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0298    1.2148    0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9201    4.3631   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6867    4.8961    0.9108 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    2.4094    2.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0428    4.3736    2.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9820    6.2578    2.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1326    5.8123    1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6978    4.0338   -0.3191 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  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 16 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 26 39  1  0
 39 40  1  0
 39 41  2  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 44  2  1  0
 14  5  1  0
 23 17  1  0
 44 25  1  0
 37 28  1  0
  5 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 13 53  1  0
 14 54  1  0
 15 55  1  0
 18 56  1  0
 19 57  1  0
 21 58  1  0
 22 59  1  0
 23 60  1  0
 28 61  1  0
 30 62  1  0
 31 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 34 67  1  0
 35 68  1  0
 36 69  1  0
 37 70  1  0
 38 71  1  0
 40 72  1  0
 41 73  1  0
 43 74  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₇H₃₀O₁₇

Average Molecular Weight

626.5169

Monoisotopic Molecular Weight

626.148299534

IUPAC Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(4-hydroxyphenyl)-3,8-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})chromen-4-one

CAS Registry Number

99224-12-1

SMILES

OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O17/c28-6-12-15(33)18(36)20(38)26(40-12)43-23-11(32)5-10(31)14-17(35)25(22(42-24(14)23)8-1-3-9(30)4-2-8)44-27-21(39)19(37)16(34)13(7-29)41-27/h1-5,12-13,15-16,18-21,26-34,36-39H,6-7H2

InChI Key

VMOKZQAQPBUNRW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-8-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C8-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-8-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Flavonoid-8-o-glycoside
Hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Flavone
Phenolic glycoside
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Chromone
Benzopyran
1-benzopyran
Pyranone
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Pyran
Oxane
Monosaccharide
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Primary alcohol
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
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: HMDB0040371)
Cytoplasm (HMDB: HMDB0040371)

Source

Exogenous

Food

Food (HMDB: HMDB0040371)

Endogenous

Plant

Plant (HMDB: HMDB0040371)

Not Available

Nutrient (HMDB: HMDB0040371)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	6.3 g/L	ALOGPS
logP	-0.81	ALOGPS
logP	-2.4	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	6.82	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	285.75 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	141.42 m³·mol⁻¹	ChemAxon
Polarizability	59.03 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]+	239.057	31661259
DarkChem	[M-H]-	227.097	31661259
DeepCCS	[M+H]+	227.291	30932474
DeepCCS	[M-H]-	225.159	30932474
DeepCCS	[M-2H]-	258.398	30932474
DeepCCS	[M+Na]+	233.097	30932474
AllCCS	[M+H]+	233.1	32859911
AllCCS	[M+H-H2O]+	231.9	32859911
AllCCS	[M+NH4]+	234.1	32859911
AllCCS	[M+Na]+	234.4	32859911
AllCCS	[M-H]-	229.7	32859911
AllCCS	[M+Na-2H]-	231.9	32859911
AllCCS	[M+HCOO]-	234.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Herbacetin 3,8-diglucoside	OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5492.3	Standard polar	33892256
Herbacetin 3,8-diglucoside	OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5489.0	Standard non polar	33892256
Herbacetin 3,8-diglucoside	OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5850.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Herbacetin 3,8-diglucoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5678.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #10	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C1O	5688.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O	5703.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5711.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5729.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5728.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5678.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #6	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5702.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C1O	5687.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #8	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5711.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TMS,isomer #9	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(CO)C(O)C1O	5714.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5539.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5535.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5559.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5541.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5569.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5546.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5571.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5586.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5568.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5546.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5576.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5530.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5551.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5520.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5566.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5582.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5530.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5552.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5520.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #27	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5561.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #28	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1	5561.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #29	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1	5528.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5519.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #30	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1	5572.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5552.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #32	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5562.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #33	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5529.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5567.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5528.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5509.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5542.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5545.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5514.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5527.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5539.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #41	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5546.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #42	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5522.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #43	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	5563.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #44	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5555.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C	5551.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C1O	5522.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #47	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C1O	5494.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #48	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)OC(CO)C(O)C1O	5539.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #49	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C	5577.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5508.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #50	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C1O	5558.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #51	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5535.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #52	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5573.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C1O	5557.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #54	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(CO)C(O)C1O[Si](C)(C)C	5581.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #55	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O[Si](C)(C)C	5550.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5537.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5551.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5545.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5512.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5365.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5338.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5414.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #101	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5447.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #102	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5393.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #103	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5451.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5390.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5342.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5381.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5381.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5391.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5408.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5366.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #110	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=C3O2)C=C1	5427.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #111	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=C3O2)C=C1	5447.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #112	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5423.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1	5449.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #114	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1	5411.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1	5450.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=C3O2)C=C1	5464.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #117	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5383.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1	5412.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #119	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1	5372.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5323.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #120	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1	5414.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #121	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5436.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #122	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1	5456.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #123	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1	5419.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #124	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1	5460.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #125	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5446.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #126	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5396.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #127	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5438.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #128	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5428.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #129	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5440.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5370.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #130	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5456.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #131	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5358.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #132	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5372.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #133	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5406.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #134	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5368.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #135	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5404.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #136	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5398.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #137	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5365.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #138	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5327.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #139	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5363.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5413.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #140	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5412.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #141	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5373.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #142	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5410.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #143	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5407.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #144	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5428.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #145	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5389.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #146	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5389.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #147	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	5406.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #148	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C3=O)C(O)C1O	5397.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #149	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)C(O)C1O	5389.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5396.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #150	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	5433.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #151	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5356.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #152	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)C1O	5348.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #153	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O	5403.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #154	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)OC(CO)C(O)C1O	5394.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #155	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5452.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #156	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)C(O)C1O	5423.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #157	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O[Si](C)(C)C)C1O	5363.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #158	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C1O	5347.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #159	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C1O	5394.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5341.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #160	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)C1O	5382.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #161	C[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)OC(CO)C(O)C1O	5429.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #162	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C1O	5401.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #163	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5383.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #164	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5430.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #165	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5461.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5380.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5404.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5376.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5363.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5344.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5383.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5377.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5345.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5377.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5360.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5364.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5422.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5412.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5366.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5392.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5403.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5389.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5382.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5372.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5327.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5362.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5428.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O[Si](C)(C)C)C(O)C1O	5411.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O[Si](C)(C)C)C1O	5363.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O[Si](C)(C)C	5401.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C3=O)C(O)C(O)C1O	5348.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5450.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5394.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5435.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5415.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5435.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5386.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5366.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5408.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5364.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5410.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C3=O)C(O)C(O)C1O	5392.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5456.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5408.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5364.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5418.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5437.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5391.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5348.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #57	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5401.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #58	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5410.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #59	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5371.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5435.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #60	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5407.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5413.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5423.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #63	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5478.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5443.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #65	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5401.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #66	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5448.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #67	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5441.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5437.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5400.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C)C(O)C1O	5415.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5355.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5405.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5480.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	5439.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	5397.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	5446.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #76	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1	5477.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #77	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1	5437.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #78	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1	5486.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5413.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C)C1O	5371.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #80	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5430.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #81	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5450.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5379.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5398.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)=C3O2)C=C1	5447.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #85	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5366.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #86	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5411.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #87	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5368.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5409.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #89	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5417.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C	5404.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #90	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)=C3O2)C=C1	5393.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #91	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5323.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #92	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5368.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #93	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5316.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #94	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5367.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #95	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)=C3O2)C=C1	5458.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5378.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #97	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5418.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #98	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5376.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,3TMS,isomer #99	C[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5416.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5875.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C1O	5906.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O	5925.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5884.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5896.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5912.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5875.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5925.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C1O	5905.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5923.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(CO)C(O)C1O	5925.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C(C)(C)C)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5875.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5870.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5894.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5876.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5913.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5890.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O	5910.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5934.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5912.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5890.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5915.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O[Si](C)(C)C(C)(C)C)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5872.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5908.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5881.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5907.8	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5940.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5871.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5908.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5881.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(O)=C(OC2OC(CO)C(O)C(O)C2O)C2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	5902.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=C3O2)C=C1	5925.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=C3O2)C=C1	5899.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5860.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=C3O2)C=C1	5927.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5910.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5926.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5899.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C(OC4OC(CO)C(O)C(O)C4O)=C3O2)C=C1	5923.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5871.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5846.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5870.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5883.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5874.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C3=O)C(O)C(O)C1O	5872.6	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5871.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5901.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O	5874.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2=O)C(O)C1O	5902.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1O	5902.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)C(O)C1O[Si](C)(C)C(C)(C)C	5889.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C3=O)C(O)C1O	5875.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)C1O	5847.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C3=O)OC(CO)C(O)C1O	5875.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5913.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C3=O)C(O)C(O)C1O	5848.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C3=O)C(O)C1O	5899.0	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5870.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C=C3)OC3=C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C(O)=CC(O)=C3C2=O)OC(CO)C(O)C1O	5903.9	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C(C)(C)C)C1O	5904.5	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5917.3	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C1O[Si](C)(C)C(C)(C)C	5888.4	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C3=O)C(O)C(O)C1O	5866.7	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O[Si](C)(C)C(C)(C)C)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O)C1O	5912.1	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5888.2	Semi standard non polar	33892256
Herbacetin 3,8-diglucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)C=C(O)C3=C2OC(C2=CC=C(O)C=C2)=C(OC2OC(CO)C(O)C(O)C2O)C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5873.9	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0bti-3400294000-d4428d1502b6f080ee96	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Herbacetin 3,8-diglucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	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 - Herbacetin 3,8-diglucoside 10V, Positive-QTOF	splash10-05mk-0001904000-b4b7c103097cd6a58224	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 20V, Positive-QTOF	splash10-0udj-0109800000-dd049b6e53e147c7838e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 40V, Positive-QTOF	splash10-0udi-0549410000-f8e6c272773b188c2b65	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 10V, Negative-QTOF	splash10-01t9-0302829000-78606b2be10b47a2c31d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 20V, Negative-QTOF	splash10-03dj-0332911000-3279c4ae1d7e5f883fbd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 40V, Negative-QTOF	splash10-0gxy-3955300000-09dd83adb750f93c747a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 10V, Negative-QTOF	splash10-004i-0000009000-1f8d504a98f308016336	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 20V, Negative-QTOF	splash10-01t9-0000509000-7a7b4a5307be90e787c3	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 40V, Negative-QTOF	splash10-03di-0000900000-6f717c8f137800f72291	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 10V, Positive-QTOF	splash10-014i-0000902000-eabf540302c6d2302496	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 20V, Positive-QTOF	splash10-0190-0000909000-0960e18ac87c6fb19ef1	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Herbacetin 3,8-diglucoside 40V, Positive-QTOF	splash10-014i-0000900000-ab6c9730050acb7a41bb	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

FDB020102

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

14375133

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 Herbacetin 3,8-diglucoside (HMDB0040371)

MOL for HMDB0040371 (Herbacetin 3,8-diglucoside)

3D MOL for HMDB0040371 (Herbacetin 3,8-diglucoside)

3D SDF for HMDB0040371 (Herbacetin 3,8-diglucoside)

3D-SDF for HMDB0040371 (Herbacetin 3,8-diglucoside)

PDB for HMDB0040371 (Herbacetin 3,8-diglucoside)

3D PDB for HMDB0040371 (Herbacetin 3,8-diglucoside)

SMILES for HMDB0040371 (Herbacetin 3,8-diglucoside)

INCHI for HMDB0040371 (Herbacetin 3,8-diglucoside)

Structure for HMDB0040371 (Herbacetin 3,8-diglucoside)

3D Structure for HMDB0040371 (Herbacetin 3,8-diglucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra