NP-MRD: Showing NP-Card for 28-Glucopyranosyl-3-methyloleanolic acid (NP0335658)

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Record Information

Version

2.0

Created at

2024-09-11 02:37:34 UTC

Updated at

2024-09-11 02:37:34 UTC

NP-MRD ID

NP0335658

Secondary Accession Numbers

None

Natural Product Identification

Common Name

28-Glucopyranosyl-3-methyloleanolic acid

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262305092D          

 45 50  0  0  0  0            999 V2000
    5.3795    4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189    4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0926   -0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320   -0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    2.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091    2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913    0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    3.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926   -1.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926   -0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071    0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2782    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    2.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    4.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071   -1.4308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216   -0.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    1.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926    2.2817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666    0.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2782    0.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    1.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 21  9  2  0  0  0  0
 22 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 32  1  1  0  0  0  0
 32  2  1  0  0  0  0
 32 15  1  0  0  0  0
 32 19  1  0  0  0  0
 33  3  1  0  0  0  0
 33  4  1  0  0  0  0
 33 24  1  0  0  0  0
 33 26  1  0  0  0  0
 34  5  1  0  0  0  0
 34 13  1  0  0  0  0
 34 24  1  0  0  0  0
 34 25  1  0  0  0  0
 35  6  1  0  0  0  0
 35 16  1  0  0  0  0
 35 21  1  0  0  0  0
 36  7  1  0  0  0  0
 36 14  1  0  0  0  0
 36 25  1  0  0  0  0
 36 35  1  0  0  0  0
 37 17  1  0  0  0  0
 37 18  1  0  0  0  0
 37 22  1  0  0  0  0
 37 31  1  0  0  0  0
 38 20  1  0  0  0  0
 39 27  1  0  0  0  0
 40 28  1  0  0  0  0
 41 29  1  0  0  0  0
 42 31  2  0  0  0  0
 43  8  1  0  0  0  0
 43 26  1  0  0  0  0
 44 23  1  0  0  0  0
 44 30  1  0  0  0  0
 45 30  1  0  0  0  0
 45 31  1  0  0  0  0
M  END


  Mrv2104 05262305092D          

 45 50  0  0  0  0            999 V2000
    5.3795    4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3189    4.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0926   -0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320   -0.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2768    2.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4202    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7091    2.2531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5810    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913    0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    3.9317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926   -1.0183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1347    3.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926   -0.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9913    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071    0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2782    1.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    2.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    4.3442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5624    0.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2769    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203    1.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7058    1.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8492    2.6942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7071   -1.4308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216   -0.1933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4216    1.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9926    2.2817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    2.6942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8666    0.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2782    0.2192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5637    1.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 21  9  2  0  0  0  0
 22 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 20  1  0  0  0  0
 24 11  1  0  0  0  0
 25 10  1  0  0  0  0
 26 12  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 32  1  1  0  0  0  0
 32  2  1  0  0  0  0
 32 15  1  0  0  0  0
 32 19  1  0  0  0  0
 33  3  1  0  0  0  0
 33  4  1  0  0  0  0
 33 24  1  0  0  0  0
 33 26  1  0  0  0  0
 34  5  1  0  0  0  0
 34 13  1  0  0  0  0
 34 24  1  0  0  0  0
 34 25  1  0  0  0  0
 35  6  1  0  0  0  0
 35 16  1  0  0  0  0
 35 21  1  0  0  0  0
 36  7  1  0  0  0  0
 36 14  1  0  0  0  0
 36 25  1  0  0  0  0
 36 35  1  0  0  0  0
 37 17  1  0  0  0  0
 37 18  1  0  0  0  0
 37 22  1  0  0  0  0
 37 31  1  0  0  0  0
 38 20  1  0  0  0  0
 39 27  1  0  0  0  0
 40 28  1  0  0  0  0
 41 29  1  0  0  0  0
 42 31  2  0  0  0  0
 43  8  1  0  0  0  0
 43 26  1  0  0  0  0
 44 23  1  0  0  0  0
 44 30  1  0  0  0  0
 45 30  1  0  0  0  0
 45 31  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0335658

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1/C37H60O8/c1-32(2)15-17-37(31(42)45-30-29(41)28(40)27(39)23(20-38)44-30)18-16-35(6)21(22(37)19-32)9-10-25-34(5)13-12-26(43-8)33(3,4)24(34)11-14-36(25,35)7/h9,22-30,38-41H,10-20H2,1-8H3

> <INCHI_KEY>
RMYQUHMJDCWPQR-UHFFFAOYNA-N

> <FORMULA>
C37H60O8

> <MOLECULAR_WEIGHT>
632.879

> <EXACT_MASS>
632.428818892

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
105

> <JCHEM_AVERAGE_POLARIZABILITY>
71.97490571665077

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

> <JCHEM_LOGP>
4.969891843666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.194594801649716

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.196142393722758

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981093680175836

> <JCHEM_POLAR_SURFACE_AREA>
125.68000000000002

> <JCHEM_REFRACTIVITY>
170.80689999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

> <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      10.042   9.289   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.062   9.289   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.040  -0.771   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.060  -0.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.383   4.259   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.384   1.949   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.057   4.206   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.951   1.179   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.051   5.799   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.717   5.029   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.717   0.409   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.284   2.719   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.050   3.489   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.051   1.179   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.386   7.339   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.718   2.719   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.386   5.799   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.052   3.489   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.718   7.339   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.053  -1.901   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.385   5.029   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.718   5.799   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.053  -0.361   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.384   1.179   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       3.717   3.489   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.284   1.179   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.387   0.409   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      14.387   1.949   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.053   2.719   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.719   1.949   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.386   4.259   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.052   8.109   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       1.050   0.409   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.384   2.719   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.385   3.489   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       5.051   2.719   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.052   5.029   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.387  -2.671   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      15.720  -0.361   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      15.720   2.719   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      13.053   4.259   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      11.719   5.029   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -1.618   0.409   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0      11.719   0.409   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      10.386   2.719   0.000  0.00  0.00           O+0
CONECT    1   32                                                            
CONECT    2   32                                                            
CONECT    3   33                                                            
CONECT    4   33                                                            
CONECT    5   34                                                            
CONECT    6   35                                                            
CONECT    7   36                                                            
CONECT    8   43                                                            
CONECT    9   10   21                                                       
CONECT   10    9   25                                                       
CONECT   11   14   24                                                       
CONECT   12   13   26                                                       
CONECT   13   12   34                                                       
CONECT   14   11   36                                                       
CONECT   15   17   32                                                       
CONECT   16   18   35                                                       
CONECT   17   15   37                                                       
CONECT   18   16   37                                                       
CONECT   19   22   32                                                       
CONECT   20   23   38                                                       
CONECT   21    9   22   35                                                  
CONECT   22   19   21   37                                                  
CONECT   23   20   27   44                                                  
CONECT   24   11   33   34                                                  
CONECT   25   10   34   36                                                  
CONECT   26   12   33   43                                                  
CONECT   27   23   28   39                                                  
CONECT   28   27   29   40                                                  
CONECT   29   28   30   41                                                  
CONECT   30   29   44   45                                                  
CONECT   31   37   42   45                                                  
CONECT   32    1    2   15   19                                             
CONECT   33    3    4   24   26                                             
CONECT   34    5   13   24   25                                             
CONECT   35    6   16   21   36                                             
CONECT   36    7   14   25   35                                             
CONECT   37   17   18   22   31                                             
CONECT   38   20                                                            
CONECT   39   27                                                            
CONECT   40   28                                                            
CONECT   41   29                                                            
CONECT   42   31                                                            
CONECT   43    8   26                                                       
CONECT   44   23   30                                                       
CONECT   45   30   31                                                       
MASTER        0    0    0    0    0    0    0    0   45    0  100    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₆₀O₈

Average Mass

632.8790 Da

Monoisotopic Mass

632.42882 Da

IUPAC Name

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

Traditional Name

3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

CAS Registry Number

Not Available

SMILES

COC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)C

InChI Identifier

InChI=1/C37H60O8/c1-32(2)15-17-37(31(42)45-30-29(41)28(40)27(39)23(20-38)44-30)18-16-35(6)21(22(37)19-32)9-10-25-34(5)13-12-26(43-8)33(3,4)24(34)11-14-36(25,35)7/h9,22-30,38-41H,10-20H2,1-8H3

InChI Key

RMYQUHMJDCWPQR-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	4.97	ChemAxon
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	125.68 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	170.81 m³·mol⁻¹	ChemAxon
Polarizability	71.97 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Not Available

Showing NP-Card for 28-Glucopyranosyl-3-methyloleanolic acid (NP0335658)

MOL for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

3D MOL for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

3D SDF for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

3D-SDF for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

PDB for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

3D PDB for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

SMILES for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

INCHI for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

Structure for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)

3D Structure for NP0335658 (28-Glucopyranosyl-3-methyloleanolic acid)