Np mrd loader

Showing NP-Card for Neobifurcose (NP0337147)

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Record Information
Version2.0
Created at2024-09-11 09:31:05 UTC
Updated at2024-09-11 09:31:05 UTC
NP-MRD IDNP0337147
Secondary Accession NumbersNone
Natural Product Identification
Common NameNeobifurcose
DescriptionNeobifurcose belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Based on a literature review very few articles have been published on Neobifurcose.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0337147 (Neobifurcose)


  Mrv2104 05262312032D          

 45 48  0  0  0  0            999 V2000
   -3.2577   -2.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    2.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0786    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123    0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3003    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728   -1.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3195    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940    3.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492    0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577    0.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478   -1.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070    3.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    4.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548    1.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928   -0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    3.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    3.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    2.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2141    3.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9221   -3.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    3.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917    3.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7193    0.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109    0.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0540    1.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127   -0.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629   -2.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2426    4.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    5.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082   -0.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    3.7168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745    4.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8082    0.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    1.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277   -0.8631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675    2.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    3.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    2.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    2.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
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 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
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 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
 22 18  1  0  0  0  0
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 23 19  1  0  0  0  0
 24  7  1  0  0  0  0
 24 20  1  0  0  0  0
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 30  7  1  0  0  0  0
 31 12  1  0  0  0  0
 32 13  1  0  0  0  0
 33 14  1  0  0  0  0
 34 15  1  0  0  0  0
 35 16  1  0  0  0  0
 36 18  1  0  0  0  0
 37 19  1  0  0  0  0
 38 20  1  0  0  0  0
 39  4  1  0  0  0  0
 39 22  1  0  0  0  0
 40 11  1  0  0  0  0
 40 21  1  0  0  0  0
 41  8  1  0  0  0  0
 41 22  1  0  0  0  0
 42  9  1  0  0  0  0
 42 23  1  0  0  0  0
 43 10  1  0  0  0  0
 43 24  1  0  0  0  0
 44 17  1  0  0  0  0
 44 23  1  0  0  0  0
 45 21  1  0  0  0  0
 45 24  1  0  0  0  0
M  END
Download

3D MOL for NP0337147 (Neobifurcose)

Download
3D SDF for NP0337147 (Neobifurcose)

  Mrv2104 05262312032D          

 45 48  0  0  0  0            999 V2000
   -3.2577   -2.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1400    2.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0786    4.0699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013    0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9123    0.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7589    1.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3003    2.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7728   -1.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3195    2.6218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940    3.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4492    0.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577    0.5050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9478   -1.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070    3.3363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    4.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    1.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6548    1.9027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6928   -0.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1001    3.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9591    3.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1521    2.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3603   -0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    2.3443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2141    3.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9221   -3.0688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249    3.2030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6917    3.5179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7193    0.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3109    0.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0540    1.8743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6127   -0.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629   -2.3151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2426    4.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6266    5.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7167    0.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9082   -0.6081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4870    3.7168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1745    4.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8082    0.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7042    1.4611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277   -0.8631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675    2.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0391    3.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    2.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071    2.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 11  4  1  0  0  0  0
 12 11  1  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 10  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 13  1  0  0  0  0
 19 14  1  0  0  0  0
 20 15  1  0  0  0  0
 21 17  1  0  0  0  0
 22  5  1  0  0  0  0
 22 18  1  0  0  0  0
 23  6  1  0  0  0  0
 23 19  1  0  0  0  0
 24  7  1  0  0  0  0
 24 20  1  0  0  0  0
 25  1  1  0  0  0  0
 26  2  1  0  0  0  0
 27  3  1  0  0  0  0
 28  5  1  0  0  0  0
 29  6  1  0  0  0  0
 30  7  1  0  0  0  0
 31 12  1  0  0  0  0
 32 13  1  0  0  0  0
 33 14  1  0  0  0  0
 34 15  1  0  0  0  0
 35 16  1  0  0  0  0
 36 18  1  0  0  0  0
 37 19  1  0  0  0  0
 38 20  1  0  0  0  0
 39  4  1  0  0  0  0
 39 22  1  0  0  0  0
 40 11  1  0  0  0  0
 40 21  1  0  0  0  0
 41  8  1  0  0  0  0
 41 22  1  0  0  0  0
 42  9  1  0  0  0  0
 42 23  1  0  0  0  0
 43 10  1  0  0  0  0
 43 24  1  0  0  0  0
 44 17  1  0  0  0  0
 44 23  1  0  0  0  0
 45 21  1  0  0  0  0
 45 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0337147

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1/C24H42O21/c25-1-8-13(32)18(36)22(5-28,41-8)39-4-11-12(31)16(35)17(44-23(6-29)19(37)14(33)9(2-26)42-23)21(40-11)45-24(7-30)20(38)15(34)10(3-27)43-24/h8-21,25-38H,1-7H2

> <INCHI_KEY>
CPXARACTRWZBPQ-UHFFFAOYNA-N

> <FORMULA>
C24H42O21

> <MOLECULAR_WEIGHT>
666.579

> <EXACT_MASS>
666.221858372

> <JCHEM_ACCEPTOR_COUNT>
21

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
61.51677906557849

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
14

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,6-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy})-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diol

> <JCHEM_LOGP>
-7.721426455000001

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.039002127084506

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.595549161485781

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648982444012732

> <JCHEM_POLAR_SURFACE_AREA>
347.8300000000001

> <JCHEM_REFRACTIVITY>
134.47549999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5,6-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy})-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diol

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0337147 (Neobifurcose)
Download
PDB for NP0337147 (Neobifurcose)
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      -6.081  -4.322   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.728   4.733   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.747   7.597   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.869   0.118   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.436   0.438   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.283   2.911   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.427   4.125   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.176  -3.076   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.196   4.894   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.282   7.121   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.839   1.263   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.668   0.943   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.636  -3.076   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.426   6.228   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.036   8.026   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.698   2.087   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.222   3.552   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.160  -1.611   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.920   5.907   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.790   7.121   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.284   3.872   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -4.406  -0.706   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.759   4.376   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -2.266   5.657   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -5.455  -5.728   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.633   5.979   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -6.891   6.567   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -6.943   0.118   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.314   1.767   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -3.834   3.499   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       1.144  -0.522   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.731  -4.322   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.053   7.634   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -3.036   9.566   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       3.205   1.767   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.695  -1.135   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       2.776   6.938   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -0.326   7.597   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -3.375   0.438   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      -1.315   2.727   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      -5.652  -1.611   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       5.166   3.750   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -3.806   5.657   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       2.253   4.696   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0      -0.760   5.336   0.000  0.00  0.00           O+0
CONECT    1    8   25                                                       
CONECT    2    9   26                                                       
CONECT    3   10   27                                                       
CONECT    4   11   39                                                       
CONECT    5   22   28                                                       
CONECT    6   23   29                                                       
CONECT    7   24   30                                                       
CONECT    8    1   13   41                                                  
CONECT    9    2   14   42                                                  
CONECT   10    3   15   43                                                  
CONECT   11    4   12   40                                                  
CONECT   12   11   16   31                                                  
CONECT   13    8   18   32                                                  
CONECT   14    9   19   33                                                  
CONECT   15   10   20   34                                                  
CONECT   16   12   17   35                                                  
CONECT   17   16   21   44                                                  
CONECT   18   13   22   36                                                  
CONECT   19   14   23   37                                                  
CONECT   20   15   24   38                                                  
CONECT   21   17   40   45                                                  
CONECT   22    5   18   39   41                                             
CONECT   23    6   19   42   44                                             
CONECT   24    7   20   43   45                                             
CONECT   25    1                                                            
CONECT   26    2                                                            
CONECT   27    3                                                            
CONECT   28    5                                                            
CONECT   29    6                                                            
CONECT   30    7                                                            
CONECT   31   12                                                            
CONECT   32   13                                                            
CONECT   33   14                                                            
CONECT   34   15                                                            
CONECT   35   16                                                            
CONECT   36   18                                                            
CONECT   37   19                                                            
CONECT   38   20                                                            
CONECT   39    4   22                                                       
CONECT   40   11   21                                                       
CONECT   41    8   22                                                       
CONECT   42    9   23                                                       
CONECT   43   10   24                                                       
CONECT   44   17   23                                                       
CONECT   45   21   24                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

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3D PDB for NP0337147 (Neobifurcose)
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SMILES for NP0337147 (Neobifurcose)
OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O
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INCHI for NP0337147 (Neobifurcose)
InChI=1/C24H42O21/c25-1-8-13(32)18(36)22(5-28,41-8)39-4-11-12(31)16(35)17(44-23(6-29)19(37)14(33)9(2-26)42-23)21(40-11)45-24(7-30)20(38)15(34)10(3-27)43-24/h8-21,25-38H,1-7H2
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View in JSmol
SynonymsNot Available
Chemical FormulaC24H42O21
Average Mass666.5790 Da
Monoisotopic Mass666.22186 Da
IUPAC Name5,6-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy})-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diol
Traditional Name5,6-bis({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy})-2-({[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}methyl)oxane-3,4-diol
CAS Registry NumberNot Available
SMILES
OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(OC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C1O
InChI Identifier
InChI=1/C24H42O21/c25-1-8-13(32)18(36)22(5-28,41-8)39-4-11-12(31)16(35)17(44-23(6-29)19(37)14(33)9(2-26)42-23)21(40-11)45-24(7-30)20(38)15(34)10(3-27)43-24/h8-21,25-38H,1-7H2
InChI KeyCPXARACTRWZBPQ-UHFFFAOYNA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.
KingdomOrganic compounds  
Super ClassOrganic oxygen compounds  
ClassOrganooxygen compounds  
Sub ClassCarbohydrates and carbohydrate conjugates  
Direct ParentOligosaccharides  
Alternative Parents
Substituents
  • Oligosaccharide
    • 

  • O-glycosyl compound
    • 

  • Glycosyl compound
    • 

  • C-glycosyl compound
    • 

  • Ketal
    • 

  • Oxane
    • 

  • Tetrahydrofuran
    • 

  • Secondary alcohol
    • 

  • Oxacycle
    • 

  • Organoheterocyclic compound
    • 

  • Acetal
    • 

  • Hydrocarbon derivative
    • 

  • Primary alcohol
    • 

  • Alcohol
    • 

  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-7.7ChemAxon
pKa (Strongest Acidic)11.6ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count21ChemAxon
Hydrogen Donor Count14ChemAxon
Polar Surface Area347.83 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity134.48 m³·mol⁻¹ChemAxon
Polarizability61.52 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available