NP-MRD: Showing NP-Card for Pallidol 3-glucoside (NP0336200)

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Record Information

Version

2.0

Created at

2024-09-11 05:11:03 UTC

Updated at

2024-09-11 05:11:03 UTC

NP-MRD ID

NP0336200

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Pallidol 3-glucoside

Description

Based on a literature review very few articles have been published on Pallidol 3-glucoside.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262307432D          

 45 51  0  0  0  0            999 V2000
   -0.8132    0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495    5.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    5.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105    0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498    3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844    2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    3.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9963    1.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    4.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865    6.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292    3.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5654    2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8258    3.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1620    2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604    2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3723    2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2584    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5947    4.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810    2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173    3.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435    2.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5275    2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    3.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    3.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    2.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7757    1.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838    7.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532    4.1744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9156    1.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    4.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069    3.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0587    4.1779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
 14  1  2  0  0  0  0
 14  2  1  0  0  0  0
 15  3  2  0  0  0  0
 15  4  1  0  0  0  0
 16  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 12  2  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 20  2  0  0  0  0
 27 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 21  2  0  0  0  0
 28 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 20  1  0  0  0  0
 29 26  1  0  0  0  0
 30 21  1  0  0  0  0
 30 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 13  1  0  0  0  0
 36 16  1  0  0  0  0
 37 17  1  0  0  0  0
 38 18  1  0  0  0  0
 39 22  1  0  0  0  0
 40 23  1  0  0  0  0
 41 31  1  0  0  0  0
 42 32  1  0  0  0  0
 43 33  1  0  0  0  0
 44 19  1  0  0  0  0
 44 34  1  0  0  0  0
 45 24  1  0  0  0  0
 45 34  1  0  0  0  0
M  END


  Mrv2104 05262307432D          

 45 51  0  0  0  0            999 V2000
   -0.8132    0.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046    1.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1495    5.3497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    5.1718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7105    0.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7073    0.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0468    6.1683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3710    5.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4498    3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3844    2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861    2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7207    3.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9963    1.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1557    1.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920    4.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0498   -0.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2865    6.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2292    3.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5654    2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8258    3.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1620    2.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7604    2.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0966    3.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3723    2.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2584    2.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5947    4.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810    2.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173    3.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0072    3.4686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3435    2.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5275    2.8281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    3.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1241    3.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9689    2.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7757    1.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1525   -1.1167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838    7.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8532    4.1744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9156    1.4747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519    4.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069    3.0987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0587    4.1779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    2.0161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    1.7471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  0  0  0  0
  6  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
 14  1  2  0  0  0  0
 14  2  1  0  0  0  0
 15  3  2  0  0  0  0
 15  4  1  0  0  0  0
 16  5  2  0  0  0  0
 16  6  1  0  0  0  0
 17  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18  9  2  0  0  0  0
 18 10  1  0  0  0  0
 19 11  2  0  0  0  0
 19 12  1  0  0  0  0
 20  9  1  0  0  0  0
 21 11  1  0  0  0  0
 22 10  2  0  0  0  0
 23 12  2  0  0  0  0
 24 13  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 20  2  0  0  0  0
 27 22  1  0  0  0  0
 27 25  1  0  0  0  0
 28 21  2  0  0  0  0
 28 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 20  1  0  0  0  0
 29 26  1  0  0  0  0
 30 21  1  0  0  0  0
 30 25  1  0  0  0  0
 30 29  1  0  0  0  0
 31 24  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 13  1  0  0  0  0
 36 16  1  0  0  0  0
 37 17  1  0  0  0  0
 38 18  1  0  0  0  0
 39 22  1  0  0  0  0
 40 23  1  0  0  0  0
 41 31  1  0  0  0  0
 42 32  1  0  0  0  0
 43 33  1  0  0  0  0
 44 19  1  0  0  0  0
 44 34  1  0  0  0  0
 45 24  1  0  0  0  0
 45 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0336200

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(OC2=CC3=C(C(C4C3C(C3=C4C=C(O)C=C3O)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2

> <INCHI_KEY>
LVYZAJNLNYSPIX-UHFFFAOYNA-N

> <FORMULA>
C34H32O11

> <MOLECULAR_WEIGHT>
616.619

> <EXACT_MASS>
616.19446185

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
63.12198971207346

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triol

> <JCHEM_LOGP>
3.0460864586666654

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.611142175275182

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.142022780348517

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6483953457011933

> <JCHEM_POLAR_SURFACE_AREA>
200.52999999999997

> <JCHEM_REFRACTIVITY>
160.08640000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triol

> <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      -1.518   1.569   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.129   1.902   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.146   9.986   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -0.501   9.654   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.326   0.041   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.320   0.374   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.954  11.514   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.693  11.182   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.706   7.290   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.451   5.273   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.334   4.265   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.079   6.283   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.193   2.759   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.291   2.499   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.918   9.056   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.093  -0.556   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.535  12.112   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.161   6.785   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.789   4.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.541   6.283   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.169   5.273   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.286   4.265   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.914   7.290   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      10.028   3.767   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.482   4.028   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.110   7.528   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.831   4.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.459   6.785   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -0.013   6.475   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.641   5.081   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.318   5.279   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.153   6.286   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.698   5.781   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       7.409   4.269   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      12.648   3.265   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.285  -2.085   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.343  13.640   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -5.326   7.792   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -3.576   2.753   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       4.204   8.803   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      11.773   5.784   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       9.443   7.799   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       6.533   6.788   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       5.954   3.763   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       8.573   3.261   0.000  0.00  0.00           O+0
CONECT    1    5   14                                                       
CONECT    2    6   14                                                       
CONECT    3    7   15                                                       
CONECT    4    8   15                                                       
CONECT    5    1   16                                                       
CONECT    6    2   16                                                       
CONECT    7    3   17                                                       
CONECT    8    4   17                                                       
CONECT    9   18   20                                                       
CONECT   10   18   22                                                       
CONECT   11   19   21                                                       
CONECT   12   19   23                                                       
CONECT   13   24   35                                                       
CONECT   14    1    2   25                                                  
CONECT   15    3    4   26                                                  
CONECT   16    5    6   36                                                  
CONECT   17    7    8   37                                                  
CONECT   18    9   10   38                                                  
CONECT   19   11   12   44                                                  
CONECT   20    9   27   29                                                  
CONECT   21   11   28   30                                                  
CONECT   22   10   27   39                                                  
CONECT   23   12   28   40                                                  
CONECT   24   13   31   45                                                  
CONECT   25   14   27   30                                                  
CONECT   26   15   28   29                                                  
CONECT   27   20   22   25                                                  
CONECT   28   21   23   26                                                  
CONECT   29   20   26   30                                                  
CONECT   30   21   25   29                                                  
CONECT   31   24   32   41                                                  
CONECT   32   31   33   42                                                  
CONECT   33   32   34   43                                                  
CONECT   34   33   44   45                                                  
CONECT   35   13                                                            
CONECT   36   16                                                            
CONECT   37   17                                                            
CONECT   38   18                                                            
CONECT   39   22                                                            
CONECT   40   23                                                            
CONECT   41   31                                                            
CONECT   42   32                                                            
CONECT   43   33                                                            
CONECT   44   19   34                                                       
CONECT   45   24   34                                                       
MASTER        0    0    0    0    0    0    0    0   45    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₂O₁₁

Average Mass

616.6190 Da

Monoisotopic Mass

616.19446 Da

IUPAC Name

2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triol

Traditional Name

2-(hydroxymethyl)-6-{[6,12,14-trihydroxy-8,16-bis(4-hydroxyphenyl)tetracyclo[7.7.0.0^{2,7}.0^{10,15}]hexadeca-2(7),3,5,10(15),11,13-hexaen-4-yl]oxy}oxane-3,4,5-triol

CAS Registry Number

Not Available

SMILES

OCC1OC(OC2=CC3=C(C(C4C3C(C3=C4C=C(O)C=C3O)C3=CC=C(O)C=C3)C3=CC=C(O)C=C3)C(O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1/C34H32O11/c35-13-24-31(41)32(42)33(43)34(45-24)44-19-11-21-28(23(40)12-19)26(15-3-7-17(37)8-4-15)29-20-9-18(38)10-22(39)27(20)25(30(21)29)14-1-5-16(36)6-2-14/h1-12,24-26,29-43H,13H2

InChI Key

LVYZAJNLNYSPIX-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	3.05	ChemAxon
pKa (Strongest Acidic)	9.14	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	200.53 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	160.09 m³·mol⁻¹	ChemAxon
Polarizability	63.12 Å³	ChemAxon
Number of Rings	7	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 Pallidol 3-glucoside (NP0336200)

MOL for NP0336200 (Pallidol 3-glucoside)

3D MOL for NP0336200 (Pallidol 3-glucoside)

3D SDF for NP0336200 (Pallidol 3-glucoside)

3D-SDF for NP0336200 (Pallidol 3-glucoside)

PDB for NP0336200 (Pallidol 3-glucoside)

3D PDB for NP0336200 (Pallidol 3-glucoside)

SMILES for NP0336200 (Pallidol 3-glucoside)

INCHI for NP0336200 (Pallidol 3-glucoside)

Structure for NP0336200 (Pallidol 3-glucoside)

3D Structure for NP0336200 (Pallidol 3-glucoside)