NP-MRD: Showing NP-Card for 2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin (NP0336480)

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Record Information

Version

2.0

Created at

2024-09-11 06:26:28 UTC

Updated at

2024-09-20 11:13:21 UTC

NP-MRD ID

NP0336480

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin

Description

2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin belongs to the class of organic compounds known as flavonoid c-glycosides. Flavonoid C-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. Based on a literature review very few articles have been published on 2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262308582D          

 42 46  0  0  0  0            999 V2000
   -3.8598    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454    1.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019    2.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    2.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    2.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    2.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    1.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454   -0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743   -0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0033    1.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177    0.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4322   -0.1179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4322   -0.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7177   -1.3554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0033   -0.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0033   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1467    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1467   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177   -2.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888   -2.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8763   -3.4988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0513   -3.4988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6388   -2.7844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0513   -2.0699    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8763   -2.0699    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2888   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888   -4.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -4.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -2.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3 22  2  0  0  0  0
 22  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 12 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  2  0  0  0  0
  4 20  1  0  0  0  0
  3 21  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  6  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 26 31  1  6  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 36 39  1  6  0  0  0
 33 40  1  6  0  0  0
 34 41  1  1  0  0  0
 35 42  1  6  0  0  0
 22 28  1  1  0  0  0
M  END


  Mrv2104 05262308582D          

 42 46  0  0  0  0            999 V2000
   -3.8598    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743    1.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454    1.5321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019    2.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    2.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019    1.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874    2.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    2.7697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    1.1197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1415    1.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1454   -0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5743   -0.9429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0033    1.5322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177    0.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4322   -0.1179    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.4322   -0.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.7177   -1.3554    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0033   -0.9429    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.0033   -0.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1467    0.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1467   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177   -2.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888   -2.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8763   -3.4988    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0513   -3.4988    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6388   -2.7844    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0513   -2.0699    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.8763   -2.0699    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2888   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -1.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2888   -4.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6388   -4.2133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8138   -2.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3 22  2  0  0  0  0
 22  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 12 10  2  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  2  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  2  0  0  0  0
  4 20  1  0  0  0  0
  3 21  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 38  1  6  0  0  0
 24 29  1  6  0  0  0
 25 30  1  6  0  0  0
 26 31  1  6  0  0  0
 32 33  1  0  0  0  0
 32 37  1  0  0  0  0
 33 34  1  0  0  0  0
 35 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  1  0  0  0
 36 39  1  6  0  0  0
 33 40  1  6  0  0  0
 34 41  1  1  0  0  0
 35 42  1  6  0  0  0
 22 28  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0336480

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C(C3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(O)C=C2O1

> <INCHI_IDENTIFIER>
InChI=1/C28H32O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20-21,23-29,31-37H,1-3H3/t9-,10-,20-,21+,23+,24+,25+,26?,27+,28-/s2

> <INCHI_KEY>
KLULJHGQHYLYGV-BGUJZORONA-N

> <FORMULA>
C28H32O14

> <MOLECULAR_WEIGHT>
592.55

> <EXACT_MASS>
592.17920571

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
74

> <JCHEM_AVERAGE_POLARIZABILITY>
58.046741608207164

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <JCHEM_LOGP>
0.11468125066666704

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.740552508133454

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.138320148872532

> <JCHEM_PKA_STRONGEST_BASIC>
-3.608837317744372

> <JCHEM_POLAR_SURFACE_AREA>
225.05999999999995

> <JCHEM_REFRACTIVITY>
141.82129999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
6-[(3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0      -7.205   2.090   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -8.539   2.860   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.872   2.090   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.539  -0.220   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -7.205   0.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.871  -0.220   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.537   0.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.537   2.090   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -5.871   2.860   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -3.204   2.860   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.870   5.170   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.204   4.400   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -1.870   2.090   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.536   2.860   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.536   4.400   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       0.797   5.170   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.797   2.090   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.131   2.860   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -5.871  -1.760   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -8.539  -1.760   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0     -11.206   2.860   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -9.872   0.550   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -12.540   0.550   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0     -13.873  -0.220   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -13.873  -1.760   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -12.540  -2.530   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -11.206  -1.760   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -11.206  -0.220   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -15.207   0.550   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0     -15.207  -2.530   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0     -12.540  -4.070   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -9.872  -5.198   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -9.102  -6.531   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -7.562  -6.531   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -6.792  -5.198   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -7.562  -3.864   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -9.102  -3.864   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -9.872  -2.530   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -6.792  -2.530   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -9.872  -7.865   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      -6.792  -7.865   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -5.252  -5.198   0.000  0.00  0.00           O+0
CONECT    1    2    5    9                                                  
CONECT    2    1    3                                                       
CONECT    3    2   22   21                                                  
CONECT    4   22    5   20                                                  
CONECT    5    1    4    6                                                  
CONECT    6    5    7   19                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    1    8                                                       
CONECT   10    8   12   13                                                  
CONECT   11   12   15                                                       
CONECT   12   10   11                                                       
CONECT   13   10   14                                                       
CONECT   14   13   15   17                                                  
CONECT   15   11   14   16                                                  
CONECT   16   15                                                            
CONECT   17   14   18                                                       
CONECT   18   17                                                            
CONECT   19    6                                                            
CONECT   20    4                                                            
CONECT   21    3                                                            
CONECT   22    3    4   28                                                  
CONECT   23   24   28                                                       
CONECT   24   23   25   29                                                  
CONECT   25   24   26   30                                                  
CONECT   26   25   27   31                                                  
CONECT   27   26   28   38                                                  
CONECT   28   23   27   22                                                  
CONECT   29   24                                                            
CONECT   30   25                                                            
CONECT   31   26                                                            
CONECT   32   33   37                                                       
CONECT   33   32   34   40                                                  
CONECT   34   33   35   41                                                  
CONECT   35   34   36   42                                                  
CONECT   36   35   37   39                                                  
CONECT   37   32   36   38                                                  
CONECT   38   27   37                                                       
CONECT   39   36                                                            
CONECT   40   33                                                            
CONECT   41   34                                                            
CONECT   42   35                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   92    0
END

View in JSmol

Synonyms

Value	Source
2''-O-a-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin	Generator
2''-O-Α-L-rhamnosyl-6-C-fucosyl-3'-methoxyluteolin	Generator

Chemical Formula

C₂₈H₃₂O₁₄

Average Mass

592.5500 Da

Monoisotopic Mass

592.17921 Da

IUPAC Name

6-[(3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

Traditional Name

6-[(3R,4R,5S,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C(C3O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)=C(O)C=C2O1

InChI Identifier

InChI=1/C28H32O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20-21,23-29,31-37H,1-3H3/t9-,10-,20-,21+,23+,24+,25+,26?,27+,28-/s2

InChI Key

KLULJHGQHYLYGV-BGUJZORONA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as flavonoid c-glycosides. These are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid C-glycosides

Alternative Parents

Substituents

Flavonoid c-glycoside
3p-methoxyflavonoid-skeleton
Flavone
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
Phenolic glycoside
Glycosyl compound
O-glycosyl compound
Disaccharide
Chromone
Methoxyphenol
Benzopyran
1-benzopyran
Phenol ether
Anisole
Methoxybenzene
Phenoxy compound
Pyranone
Phenol
Alkyl aryl ether
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyran
Monocyclic benzene moiety
Oxane
Benzenoid
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Dialkyl ether
Polyol
Organoheterocyclic compound
Oxacycle
Acetal
Ether
Organic oxide
Alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	0.11	ChemAxon
pKa (Strongest Acidic)	6.14	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	225.06 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	141.82 m³·mol⁻¹	ChemAxon
Polarizability	58.05 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	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin (NP0336480)

MOL for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

3D MOL for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

3D SDF for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

3D-SDF for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

PDB for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

3D PDB for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

SMILES for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

INCHI for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

Structure for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)

3D Structure for NP0336480 (2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteolin)