NP-MRD: Showing NP-Card for Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside] (NP0338180)

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Record Information

Version

2.0

Created at

2024-09-11 14:13:00 UTC

Updated at

2024-09-11 14:13:00 UTC

NP-MRD ID

NP0338180

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside]

Description

Based on a literature review very few articles have been published on Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside].

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262316452D          

 61 66  0  0  0  0            999 V2000
    1.1996    4.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627    6.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7246    5.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8557    6.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9796    4.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4358   -2.7631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7329   -4.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656    4.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -0.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6378   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -2.3479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8484    3.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5159    1.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9176    5.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809   -3.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780   -4.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1190   -4.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9233   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6538   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    5.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5586    4.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3523   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957   -1.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7865    4.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -1.1104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2964    2.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0300   -5.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -4.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1712   -0.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7812   -0.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2102    1.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1034    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -5.1170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4967    5.7396    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.0668   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3386    4.7104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246    0.1271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9638    1.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7812   -1.1104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4957    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  2  0  0  0  0
  5  3  2  0  0  0  0
  6  7  1  0  0  0  0
 17  2  1  0  0  0  0
 17  3  1  0  0  0  0
 17 10  2  0  0  0  0
 18  6  2  0  0  0  0
 18  8  1  0  0  0  0
 18  9  1  0  0  0  0
 19 11  1  0  0  0  0
 19 12  2  0  0  0  0
 20  8  2  0  0  0  0
 21  9  1  0  0  0  0
 22 13  2  0  0  0  0
 22 19  1  0  0  0  0
 23 11  1  0  0  0  0
 24  4  1  0  0  0  0
 25 13  1  0  0  0  0
 26 10  1  0  0  0  0
 26 24  2  0  0  0  0
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 27 25  2  0  0  0  0
 28 14  1  0  0  0  0
  5 29  1  0  0  0  0
 30 28  1  0  0  0  0
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 40 20  1  0  0  0  0
 40 21  1  0  0  0  0
 41  7  2  0  0  0  0
 41 22  1  0  0  0  0
 41 23  1  0  0  0  0
 42 14  1  0  0  0  0
 43 24  1  0  0  0  0
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 49 34  2  0  0  0  0
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 59 27  1  0  0  0  0
 59 37  1  0  0  0  0
 60 28  1  0  0  0  0
 60 37  1  0  0  0  0
 61 32  1  0  0  0  0
 61 38  1  0  0  0  0
M  CHG  2  41   1  43  -1
M  END


  Mrv2104 05262316452D          

 61 66  0  0  0  0            999 V2000
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    3.6627    6.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7329   -4.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3739   -3.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3656    4.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1034    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710   -5.1170    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1387   -1.3654    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7812   -2.7604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0668   -1.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 60 28  1  0  0  0  0
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 61 32  1  0  0  0  0
 61 38  1  0  0  0  0
M  CHG  2  41   1  43  -1
M  END
> <DATABASE_ID>
NP0338180

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C([O-])C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=C(O)C=C4C(CC(C(O)=O)\[N+]4=C\C=C4/CC(NC(=C4)C(O)=O)C(O)=O)=C3)C2O)=C1

> <INCHI_IDENTIFIER>
InChI=1/C39H42N2O20/c1-56-26-10-17(2-4-24(26)43)3-5-29(45)57-15-39(55)16-58-38(33(39)48)61-32-31(47)30(46)28(14-42)60-37(32)59-27-12-19-11-23(36(53)54)41(22(19)13-25(27)44)7-6-18-8-20(34(49)50)40-21(9-18)35(51)52/h2-8,10,12-13,21,23,28,30-33,37-38,42,46-48,55H,9,11,14-16H2,1H3,(H5,43,44,45,49,50,51,52,53,54)

> <INCHI_KEY>
KNQKLMDWXLOVGM-UHFFFAOYNA-N

> <FORMULA>
C39H42N2O20

> <MOLECULAR_WEIGHT>
858.759

> <EXACT_MASS>
858.23309176

> <JCHEM_ACCEPTOR_COUNT>
20

> <JCHEM_ATOM_COUNT>
103

> <JCHEM_AVERAGE_POLARIZABILITY>
83.83505776861584

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
10

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1Z)-2-carboxy-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-[(3-{[3,4-dihydroxy-4-({[(2E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium

> <JCHEM_LOGP>
-4.082507393805079

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.4309477890938

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.402323499326495

> <JCHEM_PKA_STRONGEST_BASIC>
-4.039907515854855

> <JCHEM_POLAR_SURFACE_AREA>
343.8300000000001

> <JCHEM_REFRACTIVITY>
224.10100000000017

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1Z)-2-carboxy-1-{2-[(4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-5-[(3-{[3,4-dihydroxy-4-({[(2E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium

> <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       2.239   8.105   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.837  11.218   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.819   9.433   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.331  11.538   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.295   7.969   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.680  -5.158   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.650  -4.013   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.235  -7.767   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.698  -6.943   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.282   8.609   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.126  -0.057   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.924   0.237   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.924  -2.843   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.259  -4.383   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      12.784   5.864   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      14.030   3.065   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       7.313   9.753   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.204  -6.622   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.590  -0.533   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.759  -9.231   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.222  -8.407   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.590  -2.073   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.220  -1.303   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.300  10.394   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.258  -2.073   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.776   8.929   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.258  -0.533   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.259  -2.843   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.801   7.648   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.592  -2.073   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.592  -0.533   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.259   0.237   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      11.753   4.079   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.789 -10.376   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.284  -8.727   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.320  -1.303   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.925  -0.533   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      11.592   2.547   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      13.260   4.399   0.000  0.00  0.00           C+0
HETATM   40  N   UNK     0       1.253  -9.552   0.000  0.00  0.00           N+0
HETATM   41  N   UNK     0       2.126  -2.549   0.000  0.00  0.00           N+1
HETATM   42  O   UNK     0       8.925  -5.153   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       2.794  10.714   0.000  0.00  0.00           O-1
HETATM   44  O   UNK     0       7.591  -2.843   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      11.832   8.793   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      12.926  -2.843   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0      12.926   0.237   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0      10.609   5.109   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0       3.314 -11.841   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       5.296 -10.056   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0      -1.760 -10.192   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0      -2.315  -7.583   0.000  0.00  0.00           O+0
HETATM   53  O   UNK     0      -1.090  -2.636   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      -1.090   0.031   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0      14.667   5.025   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0       3.746   7.785   0.000  0.00  0.00           O+0
HETATM   57  O   UNK     0      11.277   6.184   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      12.999   1.921   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0       7.591   0.237   0.000  0.00  0.00           O+0
HETATM   60  O   UNK     0       8.925  -2.073   0.000  0.00  0.00           O+0
HETATM   61  O   UNK     0      10.259   1.777   0.000  0.00  0.00           O+0
CONECT    1   56                                                            
CONECT    2    4   17                                                       
CONECT    3    5   17                                                       
CONECT    4    2   24                                                       
CONECT    5    3   29                                                       
CONECT    6    7   18                                                       
CONECT    7    6   41                                                       
CONECT    8   18   20                                                       
CONECT    9   18   21                                                       
CONECT   10   17   26                                                       
CONECT   11   19   23                                                       
CONECT   12   19   27                                                       
CONECT   13   22   25                                                       
CONECT   14   28   42                                                       
CONECT   15   39   57                                                       
CONECT   16   39   58                                                       
CONECT   17    2    3   10                                                  
CONECT   18    6    8    9                                                  
CONECT   19   11   12   22                                                  
CONECT   20    8   34   40                                                  
CONECT   21    9   35   40                                                  
CONECT   22   13   19   41                                                  
CONECT   23   11   36   41                                                  
CONECT   24    4   26   43                                                  
CONECT   25   13   27   44                                                  
CONECT   26   10   24   56                                                  
CONECT   27   12   25   59                                                  
CONECT   28   14   30   60                                                  
CONECT   29    5   45   57                                                  
CONECT   30   28   31   46                                                  
CONECT   31   30   32   47                                                  
CONECT   32   31   37   61                                                  
CONECT   33   38   39   48                                                  
CONECT   34   20   49   50                                                  
CONECT   35   21   51   52                                                  
CONECT   36   23   53   54                                                  
CONECT   37   32   59   60                                                  
CONECT   38   33   58   61                                                  
CONECT   39   15   16   33   55                                             
CONECT   40   20   21                                                       
CONECT   41    7   22   23                                                  
CONECT   42   14                                                            
CONECT   43   24                                                            
CONECT   44   25                                                            
CONECT   45   29                                                            
CONECT   46   30                                                            
CONECT   47   31                                                            
CONECT   48   33                                                            
CONECT   49   34                                                            
CONECT   50   34                                                            
CONECT   51   35                                                            
CONECT   52   35                                                            
CONECT   53   36                                                            
CONECT   54   36                                                            
CONECT   55   39                                                            
CONECT   56    1   26                                                       
CONECT   57   15   29                                                       
CONECT   58   16   38                                                       
CONECT   59   27   37                                                       
CONECT   60   28   37                                                       
CONECT   61   32   38                                                       
MASTER        0    0    0    0    0    0    0    0   61    0  132    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₉H₄₂N₂O₂₀

Average Mass

858.7590 Da

Monoisotopic Mass

858.23309 Da

IUPAC Name

(1Z)-2-carboxy-1-{2-[(4E)-2,6-dicarboxy-1,2,3,4-tetrahydropyridin-4-ylidene]ethylidene}-5-[(3-{[3,4-dihydroxy-4-({[(2E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium

Traditional Name

(1Z)-2-carboxy-1-{2-[(4E)-2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene]ethylidene}-5-[(3-{[3,4-dihydroxy-4-({[(2E)-3-(3-methoxy-4-oxidophenyl)prop-2-enoyl]oxy}methyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy]-6-hydroxy-2,3-dihydro-1H-1lambda5-indol-1-ylium

CAS Registry Number

Not Available

SMILES

COC1=C([O-])C=CC(\C=C\C(=O)OCC2(O)COC(OC3C(O)C(O)C(CO)OC3OC3=C(O)C=C4C(CC(C(O)=O)\[N+]4=C\C=C4/CC(NC(=C4)C(O)=O)C(O)=O)=C3)C2O)=C1

InChI Identifier

InChI=1/C39H42N2O20/c1-56-26-10-17(2-4-24(26)43)3-5-29(45)57-15-39(55)16-58-38(33(39)48)61-32-31(47)30(46)28(14-42)60-37(32)59-27-12-19-11-23(36(53)54)41(22(19)13-25(27)44)7-6-18-8-20(34(49)50)40-21(9-18)35(51)52/h2-8,10,12-13,21,23,28,30-33,37-38,42,46-48,55H,9,11,14-16H2,1H3,(H5,43,44,45,49,50,51,52,53,54)

InChI Key

KNQKLMDWXLOVGM-UHFFFAOYNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	-4.1	ChemAxon
pKa (Strongest Acidic)	2.4	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	20	ChemAxon
Hydrogen Donor Count	10	ChemAxon
Polar Surface Area	343.83 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	224.1 m³·mol⁻¹	ChemAxon
Polarizability	83.84 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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 Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside] (NP0338180)

MOL for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

3D MOL for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

3D SDF for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

3D-SDF for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

PDB for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

3D PDB for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

SMILES for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

INCHI for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

Structure for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])

3D Structure for NP0338180 (Betanidin 5-[E-feruloyl-(->5)-apiosyl-(1->2)-glucoside])