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Showing metabocard for Rhamnazin 3-sophoroside (HMDB0038235)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:31:15 UTC
Update Date2022-03-07 02:55:41 UTC
HMDB IDHMDB0038235
Secondary Accession Numbers
  • HMDB38235
Metabolite Identification
Common NameRhamnazin 3-sophoroside
DescriptionRhamnazin 3-sophoroside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Rhamnazin 3-sophoroside has been detected, but not quantified in, herbs and spices. This could make rhamnazin 3-sophoroside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Rhamnazin 3-sophoroside.
Structure
Data?1563863162
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0038235 (Rhamnazin 3-sophoroside)


  Mrv0541 05061310192D          

 46 50  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 45 29  1  0  0  0  0
 46 27  1  0  0  0  0
 46 28  1  0  0  0  0
M  END
Download

3D MOL for HMDB0038235 (Rhamnazin 3-sophoroside)

HMDB0038235
     RDKit          3D
Rhamnazin 3-sophoroside
 80 84  0  0  0  0  0  0  0  0999 V2000
   -3.2818    7.0560    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5758    5.7672   -0.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    4.6412    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890    4.7864    1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3572    3.6338    1.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4389    3.8422    2.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6992    2.3962    1.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1279    1.2140    1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2475    1.2741    2.7201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -0.0041    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8466   -1.1165    1.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947   -1.4486    1.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556   -2.4640    2.1343 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -3.6955    1.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -4.7934    2.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8573    0.5516   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5962    0.1404   -2.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8143    0.0791    0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4505    0.5779    2.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228    2.3114    2.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1587    1.3931   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0655    3.1308    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9478    1.3377   -2.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0048    0.3571   -3.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9911    3.2233   -0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 75  1  0
 42 76  1  0
 42 77  1  0
 42 78  1  0
 43 79  1  0
 46 80  1  0
M  END
Download

3D SDF for HMDB0038235 (Rhamnazin 3-sophoroside)


  Mrv0541 05061310192D          

 46 50  0  0  0  0            999 V2000
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    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
    6.4302   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
 10  3  1  0  0  0  0
 10  5  2  0  0  0  0
 11  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 14 12  2  0  0  0  0
 15  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
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 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
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 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 10  1  0  0  0  0
 26 21  1  0  0  0  0
 26 25  2  0  0  0  0
 27 23  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
 30  8  1  0  0  0  0
 31  9  1  0  0  0  0
 32 12  1  0  0  0  0
 33 13  1  0  0  0  0
 34 19  1  0  0  0  0
 35 20  1  0  0  0  0
 36 21  2  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 24  1  0  0  0  0
 40  1  1  0  0  0  0
 40 11  1  0  0  0  0
 41  2  1  0  0  0  0
 41 14  1  0  0  0  0
 42 15  1  0  0  0  0
 42 25  1  0  0  0  0
 43 16  1  0  0  0  0
 43 28  1  0  0  0  0
 44 17  1  0  0  0  0
 44 29  1  0  0  0  0
 45 26  1  0  0  0  0
 45 29  1  0  0  0  0
 46 27  1  0  0  0  0
 46 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038235

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3

> <INCHI_KEY>
WPIJGCCJUFCJAE-UHFFFAOYSA-N

> <FORMULA>
C29H34O17

> <MOLECULAR_WEIGHT>
654.5701

> <EXACT_MASS>
654.179599662

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
62.48838082293442

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.33

> <JCHEM_LOGP>
-1.6238828296666665

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.106188762150515

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.266476703494567

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981092596765386

> <JCHEM_POLAR_SURFACE_AREA>
263.74999999999994

> <JCHEM_REFRACTIVITY>
150.65340000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.11e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0038235 (Rhamnazin 3-sophoroside)

HMDB0038235
     RDKit          3D
Rhamnazin 3-sophoroside
 80 84  0  0  0  0  0  0  0  0999 V2000
   -3.2818    7.0560    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5758    5.7672   -0.1968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9259    4.6412    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890    4.7864    1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3572    3.6338    1.8513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4389    3.8422    2.8201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6992    2.3962    1.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1279    1.2140    1.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2475    1.2741    2.7201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4905   -0.0041    1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8466   -1.1165    1.7938 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4947   -1.4486    1.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9556   -2.4640    2.1343 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -3.6955    1.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6154   -4.7934    2.3956 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583   -5.9602    1.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8693   -3.5067    0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9102   -2.6554    0.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8409   -2.7733   -0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056   -2.7849   -1.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038   -1.4245   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -0.7769   -0.2420 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8573    0.5516   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2169    1.2920    0.5785 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6016    1.1286    0.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9838    1.3147    2.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3494    1.1414    2.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3584    2.0021   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9129    3.1161    0.3650 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3863    2.2998   -1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0455    2.8638   -2.4214 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6309    1.0270   -1.7375 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5962    0.1404   -2.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4362   -0.0851    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8954   -1.3456   -0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5869   -2.5773    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0261   -3.7488   -0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7758   -3.6414   -1.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2250   -4.7630   -2.2790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1237   -2.3813   -2.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8779   -2.3490   -3.3078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3386   -1.2567   -4.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6487   -1.2963   -1.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9660    1.0551   -0.1117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    2.2303    0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2491    3.3911   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1761    7.1926    0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8417    7.2977    1.1719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6098    7.7954   -0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139    5.7569    1.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217    3.2494    3.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0365   -0.4704    1.7937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0523   -4.0037    1.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9383   -4.9298    3.2679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6148   -4.6443    2.8034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493   -6.3651    1.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2061   -4.4414   -0.1792 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -2.4963   -0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0487   -3.4371   -0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -3.6546   -2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -0.7789   -0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7888    0.7878   -0.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8143    0.0791    0.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4505    0.5779    2.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7228    2.3114    2.6159 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7275    0.4790    1.8026 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1587    1.3931   -0.6449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0655    3.1308    1.3170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6792    3.0594   -0.9534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7035    2.2546   -2.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9478    1.3377   -2.5812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0048    0.3571   -3.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152   -2.7327    1.0705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7576   -4.7356   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9975   -5.6732   -1.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8724   -1.6724   -4.9307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5100   -0.6475   -4.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0533   -0.6079   -3.4565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8953   -0.3086   -1.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9911    3.2233   -0.9148 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
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 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 10 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 40 43  2  0
 34 44  1  0
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 45 46  2  0
 46  3  1  0
 45  7  1  0
 21 12  1  0
 32 23  1  0
 43 35  1  0
  1 47  1  0
  1 48  1  0
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  4 50  1  0
  6 51  1  0
 12 52  1  0
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 31 70  1  0
 32 71  1  0
 33 72  1  0
 36 73  1  0
 37 74  1  0
 39 75  1  0
 42 76  1  0
 42 77  1  0
 42 78  1  0
 43 79  1  0
 46 80  1  0
M  END
Download

PDB for HMDB0038235 (Rhamnazin 3-sophoroside)

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      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      12.003 -10.010   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      13.337  -7.700   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
CONECT    1   40                                                            
CONECT    2   41                                                            
CONECT    3    4   10                                                       
CONECT    4    3   12                                                       
CONECT    5   10   14                                                       
CONECT    6   11   13                                                       
CONECT    7   11   15                                                       
CONECT    8   16   30                                                       
CONECT    9   17   31                                                       
CONECT   10    3    5   25                                                  
CONECT   11    6    7   40                                                  
CONECT   12    4   14   32                                                  
CONECT   13    6   18   33                                                  
CONECT   14    5   12   41                                                  
CONECT   15    7   18   42                                                  
CONECT   16    8   19   43                                                  
CONECT   17    9   20   44                                                  
CONECT   18   13   15   21                                                  
CONECT   19   16   22   34                                                  
CONECT   20   17   23   35                                                  
CONECT   21   18   26   36                                                  
CONECT   22   19   24   37                                                  
CONECT   23   20   27   38                                                  
CONECT   24   22   28   39                                                  
CONECT   25   10   26   42                                                  
CONECT   26   21   25   45                                                  
CONECT   27   23   29   46                                                  
CONECT   28   24   43   46                                                  
CONECT   29   27   44   45                                                  
CONECT   30    8                                                            
CONECT   31    9                                                            
CONECT   32   12                                                            
CONECT   33   13                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
CONECT   40    1   11                                                       
CONECT   41    2   14                                                       
CONECT   42   15   25                                                       
CONECT   43   16   28                                                       
CONECT   44   17   29                                                       
CONECT   45   26   29                                                       
CONECT   46   27   28                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END
Download

3D PDB for HMDB0038235 (Rhamnazin 3-sophoroside)

COMPND    HMDB0038235
HETATM    1  C1  UNL     1      -3.282   7.056   0.251  1.00  0.00           C  
HETATM    2  O1  UNL     1      -3.576   5.767  -0.197  1.00  0.00           O  
HETATM    3  C2  UNL     1      -2.926   4.641   0.347  1.00  0.00           C  
HETATM    4  C3  UNL     1      -1.989   4.786   1.330  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.357   3.634   1.851  1.00  0.00           C  
HETATM    6  O2  UNL     1      -0.439   3.842   2.820  1.00  0.00           O  
HETATM    7  C5  UNL     1      -1.699   2.396   1.358  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.128   1.214   1.802  1.00  0.00           C  
HETATM    9  O3  UNL     1      -0.248   1.274   2.720  1.00  0.00           O  
HETATM   10  C7  UNL     1      -1.490  -0.004   1.275  1.00  0.00           C  
HETATM   11  O4  UNL     1      -0.847  -1.116   1.794  1.00  0.00           O  
HETATM   12  C8  UNL     1       0.495  -1.449   1.424  1.00  0.00           C  
HETATM   13  O5  UNL     1       0.956  -2.464   2.134  1.00  0.00           O  
HETATM   14  C9  UNL     1       1.092  -3.695   1.556  1.00  0.00           C  
HETATM   15  C10 UNL     1       1.615  -4.793   2.396  1.00  0.00           C  
HETATM   16  O6  UNL     1       1.658  -5.960   1.599  1.00  0.00           O  
HETATM   17  C11 UNL     1       1.869  -3.507   0.234  1.00  0.00           C  
HETATM   18  O7  UNL     1       2.910  -2.655   0.558  1.00  0.00           O  
HETATM   19  C12 UNL     1       0.841  -2.773  -0.663  1.00  0.00           C  
HETATM   20  O8  UNL     1       1.306  -2.785  -1.985  1.00  0.00           O  
HETATM   21  C13 UNL     1       0.704  -1.425  -0.097  1.00  0.00           C  
HETATM   22  O9  UNL     1       1.935  -0.777  -0.242  1.00  0.00           O  
HETATM   23  C14 UNL     1       1.857   0.552  -0.591  1.00  0.00           C  
HETATM   24  O10 UNL     1       2.217   1.292   0.578  1.00  0.00           O  
HETATM   25  C15 UNL     1       3.602   1.129   0.778  1.00  0.00           C  
HETATM   26  C16 UNL     1       3.984   1.315   2.204  1.00  0.00           C  
HETATM   27  O11 UNL     1       5.349   1.141   2.432  1.00  0.00           O  
HETATM   28  C17 UNL     1       4.358   2.002  -0.198  1.00  0.00           C  
HETATM   29  O12 UNL     1       4.913   3.116   0.365  1.00  0.00           O  
HETATM   30  C18 UNL     1       3.386   2.300  -1.338  1.00  0.00           C  
HETATM   31  O13 UNL     1       4.046   2.864  -2.421  1.00  0.00           O  
HETATM   32  C19 UNL     1       2.631   1.027  -1.737  1.00  0.00           C  
HETATM   33  O14 UNL     1       3.596   0.140  -2.201  1.00  0.00           O  
HETATM   34  C20 UNL     1      -2.436  -0.085   0.295  1.00  0.00           C  
HETATM   35  C21 UNL     1      -2.895  -1.346  -0.323  1.00  0.00           C  
HETATM   36  C22 UNL     1      -2.587  -2.577   0.168  1.00  0.00           C  
HETATM   37  C23 UNL     1      -3.026  -3.749  -0.478  1.00  0.00           C  
HETATM   38  C24 UNL     1      -3.776  -3.641  -1.617  1.00  0.00           C  
HETATM   39  O15 UNL     1      -4.225  -4.763  -2.279  1.00  0.00           O  
HETATM   40  C25 UNL     1      -4.124  -2.381  -2.165  1.00  0.00           C  
HETATM   41  O16 UNL     1      -4.878  -2.349  -3.308  1.00  0.00           O  
HETATM   42  C26 UNL     1      -5.339  -1.257  -4.021  1.00  0.00           C  
HETATM   43  C27 UNL     1      -3.649  -1.296  -1.466  1.00  0.00           C  
HETATM   44  O17 UNL     1      -2.966   1.055  -0.112  1.00  0.00           O  
HETATM   45  C28 UNL     1      -2.649   2.230   0.358  1.00  0.00           C  
HETATM   46  C29 UNL     1      -3.249   3.391  -0.129  1.00  0.00           C  
HETATM   47  H1  UNL     1      -2.176   7.193   0.358  1.00  0.00           H  
HETATM   48  H2  UNL     1      -3.842   7.298   1.172  1.00  0.00           H  
HETATM   49  H3  UNL     1      -3.610   7.795  -0.529  1.00  0.00           H  
HETATM   50  H4  UNL     1      -1.714   5.757   1.717  1.00  0.00           H  
HETATM   51  H5  UNL     1       0.122   3.249   3.315  1.00  0.00           H  
HETATM   52  H6  UNL     1       1.037  -0.470   1.794  1.00  0.00           H  
HETATM   53  H7  UNL     1       0.052  -4.004   1.231  1.00  0.00           H  
HETATM   54  H8  UNL     1       0.938  -4.930   3.268  1.00  0.00           H  
HETATM   55  H9  UNL     1       2.615  -4.644   2.803  1.00  0.00           H  
HETATM   56  H10 UNL     1       0.749  -6.365   1.583  1.00  0.00           H  
HETATM   57  H11 UNL     1       2.206  -4.441  -0.179  1.00  0.00           H  
HETATM   58  H12 UNL     1       3.556  -2.496  -0.140  1.00  0.00           H  
HETATM   59  H13 UNL     1      -0.049  -3.437  -0.600  1.00  0.00           H  
HETATM   60  H14 UNL     1       1.731  -3.655  -2.207  1.00  0.00           H  
HETATM   61  H15 UNL     1      -0.129  -0.779  -0.440  1.00  0.00           H  
HETATM   62  H16 UNL     1       0.789   0.788  -0.714  1.00  0.00           H  
HETATM   63  H17 UNL     1       3.814   0.079   0.502  1.00  0.00           H  
HETATM   64  H18 UNL     1       3.450   0.578   2.852  1.00  0.00           H  
HETATM   65  H19 UNL     1       3.723   2.311   2.616  1.00  0.00           H  
HETATM   66  H20 UNL     1       5.727   0.479   1.803  1.00  0.00           H  
HETATM   67  H21 UNL     1       5.159   1.393  -0.645  1.00  0.00           H  
HETATM   68  H22 UNL     1       5.066   3.131   1.317  1.00  0.00           H  
HETATM   69  H23 UNL     1       2.679   3.059  -0.953  1.00  0.00           H  
HETATM   70  H24 UNL     1       4.704   2.255  -2.853  1.00  0.00           H  
HETATM   71  H25 UNL     1       1.948   1.338  -2.581  1.00  0.00           H  
HETATM   72  H26 UNL     1       4.005   0.357  -3.051  1.00  0.00           H  
HETATM   73  H27 UNL     1      -2.015  -2.733   1.071  1.00  0.00           H  
HETATM   74  H28 UNL     1      -2.758  -4.736  -0.054  1.00  0.00           H  
HETATM   75  H29 UNL     1      -3.997  -5.673  -1.898  1.00  0.00           H  
HETATM   76  H30 UNL     1      -5.872  -1.672  -4.931  1.00  0.00           H  
HETATM   77  H31 UNL     1      -4.510  -0.647  -4.454  1.00  0.00           H  
HETATM   78  H32 UNL     1      -6.053  -0.608  -3.456  1.00  0.00           H  
HETATM   79  H33 UNL     1      -3.895  -0.309  -1.858  1.00  0.00           H  
HETATM   80  H34 UNL     1      -3.991   3.223  -0.915  1.00  0.00           H  
CONECT    1    2   47   48   49
CONECT    2    3
CONECT    3    4    4   46
CONECT    4    5   50
CONECT    5    6    7    7
CONECT    6   51
CONECT    7    8   45
CONECT    8    9    9   10
CONECT   10   11   34   34
CONECT   11   12
CONECT   12   13   21   52
CONECT   13   14
CONECT   14   15   17   53
CONECT   15   16   54   55
CONECT   16   56
CONECT   17   18   19   57
CONECT   18   58
CONECT   19   20   21   59
CONECT   20   60
CONECT   21   22   61
CONECT   22   23
CONECT   23   24   32   62
CONECT   24   25
CONECT   25   26   28   63
CONECT   26   27   64   65
CONECT   27   66
CONECT   28   29   30   67
CONECT   29   68
CONECT   30   31   32   69
CONECT   31   70
CONECT   32   33   71
CONECT   33   72
CONECT   34   35   44
CONECT   35   36   36   43
CONECT   36   37   73
CONECT   37   38   38   74
CONECT   38   39   40
CONECT   39   75
CONECT   40   41   43   43
CONECT   41   42
CONECT   42   76   77   78
CONECT   43   79
CONECT   44   45
CONECT   45   46   46
CONECT   46   80
END
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SMILES for HMDB0038235 (Rhamnazin 3-sophoroside)

COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(O)C=C1
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INCHI for HMDB0038235 (Rhamnazin 3-sophoroside)

InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3
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View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC29H34O17
Average Molecular Weight654.5701
Monoisotopic Molecular Weight654.179599662
IUPAC Name3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one
Traditional Name3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
CAS Registry Number259234-18-9
SMILES
COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(O)C=C1
InChI Identifier
InChI=1S/C29H34O17/c1-40-11-6-13(33)18-15(7-11)42-25(10-3-4-12(32)14(5-10)41-2)26(21(18)36)45-29-27(23(38)20(35)17(9-31)44-29)46-28-24(39)22(37)19(34)16(8-30)43-28/h3-7,16-17,19-20,22-24,27-35,37-39H,8-9H2,1-2H3
InChI KeyWPIJGCCJUFCJAE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-3-O-glycosides
Alternative Parents
Substituents
  • Flavonoid-3-o-glycoside
  • 3p-methoxyflavonoid-skeleton
  • 7-methoxyflavonoid-skeleton
  • 4'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • Chromone
  • Disaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Benzopyran
  • Methoxyphenol
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • Pyranone
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyran
  • Oxane
  • Monocyclic benzene moiety
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous acid
  • Secondary alcohol
  • Oxacycle
  • Ether
  • Polyol
  • Acetal
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Alcohol
  • Organooxygen compound
  • Primary alcohol
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.11 g/LALOGPS
logP-0.33ALOGPS
logP-1.6ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)8.27ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area263.75 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity150.65 m³·mol⁻¹ChemAxon
Polarizability62.49 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+247.46231661259
DarkChem[M-H]-236.29931661259
DeepCCS[M+H]+245.62230932474
DeepCCS[M-H]-243.62130932474
DeepCCS[M-2H]-276.86130932474
DeepCCS[M+Na]+251.53430932474
AllCCS[M+H]+240.332859911
AllCCS[M+H-H2O]+239.332859911
AllCCS[M+NH4]+241.232859911
AllCCS[M+Na]+241.432859911
AllCCS[M-H]-237.632859911
AllCCS[M+Na-2H]-240.432859911
AllCCS[M+HCOO]-243.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Rhamnazin 3-sophorosideCOC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(O)C=C15529.7Standard polar33892256
Rhamnazin 3-sophorosideCOC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(O)C=C15281.5Standard non polar33892256
Rhamnazin 3-sophorosideCOC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(OC2=C1)C1=CC(OC)=C(O)C=C15878.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Rhamnazin 3-sophoroside,1TMS,isomer #1COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15641.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #2COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15668.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #3COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15663.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #4COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15669.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #5COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15657.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #6COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15652.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #7COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15624.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #8COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15646.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TMS,isomer #9COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15686.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #1COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15457.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #10COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15486.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #11COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15490.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #12COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15485.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #13COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15458.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #14COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15479.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #15COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15512.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #16COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15506.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #17COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15467.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #18COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15489.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #19COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15464.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #2COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15460.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #20COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15479.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #21COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15514.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #22COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15462.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #23COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15482.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #24COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15457.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #25COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15474.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #26COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15509.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #27COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15477.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #28COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15450.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #29COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15469.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #3COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15447.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #30COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15494.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #31COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15481.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #32COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15470.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #33COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15504.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #34COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15479.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #35COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15473.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #36COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15498.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #4COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15432.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #5COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15451.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #6COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15409.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #7COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15435.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #8COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15485.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TMS,isomer #9COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15518.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #1COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15296.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #10COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15273.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #11COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15226.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #12COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15248.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #13COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15303.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #14COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15225.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #15COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15261.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #16COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15212.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #17COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15237.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #18COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15290.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #19COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15257.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #2COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15262.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #20COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15213.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #21COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15238.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #22COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15269.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #23COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15251.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #24COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15249.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #25COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15311.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #26COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15245.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #27COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15246.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #28COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15290.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #29COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15363.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #3COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15258.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #30COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15329.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #31COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15355.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #32COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15311.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #33COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15332.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #34COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15364.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #35COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15293.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #36COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15309.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #37COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15270.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #38COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15290.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #39COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15327.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #4COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15276.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #40COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15312.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #41COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15273.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #42COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15294.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #43COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15323.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #44COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15293.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #45COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15287.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #46COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15345.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #47COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15289.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #48COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15297.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #49COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15329.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #5COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15222.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #50COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15284.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #51COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15318.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #52COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15279.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #53COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15297.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #54COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15356.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #55COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15293.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #56COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15257.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #57COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15272.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #58COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15312.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #59COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15293.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #6COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15252.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #60COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15285.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #61COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15350.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #62COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15288.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #63COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15302.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #64COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15327.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #65COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15288.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #66COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15250.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #67COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15267.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #68COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15304.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #69COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15288.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #7COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15295.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #70COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15282.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #71COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15342.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #72COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15286.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #73COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15295.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #74COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15323.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #75COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15279.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #76COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15282.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #77COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15330.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #78COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15266.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #79COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15285.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #8COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15274.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #80COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15314.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #81COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15303.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #82COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15327.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #83COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15320.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #84COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(OC)=C3)OC2=C15323.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,3TMS,isomer #9COC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15236.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #1COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15840.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #2COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15853.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #3COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15887.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #4COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15887.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #5COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15840.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #6COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15879.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #7COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15853.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #8COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15856.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,1TBDMS,isomer #9COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15863.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #1COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15850.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #10COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15871.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #11COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15851.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #12COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15855.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #13COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15825.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #14COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15824.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #15COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15881.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #16COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15869.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #17COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15842.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #18COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15854.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #19COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15829.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #2COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15854.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #20COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15819.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #21COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15885.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #22COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15841.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #23COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15855.8Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #24COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15828.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #25COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15820.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #26COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15883.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #27COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15839.5Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #28COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15829.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #29COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15822.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #3COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15854.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #30COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15863.4Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #31COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15830.2Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #32COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15820.6Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #33COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15875.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #34COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15821.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #35COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15840.9Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #36COC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15846.0Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #4COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15824.3Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #5COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15847.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #6COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15813.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #7COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(OC)=C3)OC2=C15805.1Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #8COC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3)OC2=C15867.7Semi standard non polar33892256
Rhamnazin 3-sophoroside,2TBDMS,isomer #9COC1=CC(O)=C2C(=O)C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OC(CO)C(O)C(O)C3O)=C(C3=CC=C(O)C(OC)=C3)OC2=C15877.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dr-4421189000-d6f1ee502c1bc84db8872017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_1_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Rhamnazin 3-sophoroside GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-17Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 10V, Positive-QTOFsplash10-001i-0209806000-36ff51f43ef9580519522016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 20V, Positive-QTOFsplash10-001i-0109300000-4ed263f98e6f8141ab442016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 40V, Positive-QTOFsplash10-02ai-0509100000-5057e91337a421693e392016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 10V, Negative-QTOFsplash10-0fb9-2508629000-f45009e1058258ca38312016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 20V, Negative-QTOFsplash10-01t9-1719502000-5e95620a6c8fa4130c622016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 40V, Negative-QTOFsplash10-01t9-5729100000-5452d3ab721c10ee9be52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 10V, Positive-QTOFsplash10-001i-0009002000-7878923458697bb4dc6b2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 20V, Positive-QTOFsplash10-0a60-0009009000-abe00817ddb21e4dfb812021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 40V, Positive-QTOFsplash10-001i-0009000000-cd0cdc6b37d83f81ed2c2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 10V, Negative-QTOFsplash10-0udi-0000009000-e7d6a15f6672b0ab549d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 20V, Negative-QTOFsplash10-0ufr-0005009000-ca749079ed723929fd762021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Rhamnazin 3-sophoroside 40V, Negative-QTOFsplash10-004i-0019001000-34868cfb27f9cfb3dc082021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB017480
KNApSAcK IDC00057295
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752322
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .