NP-MRD: Showing NP-Card for Agavoside F (NP0335200)

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Record Information

Version

2.0

Created at

2024-09-11 00:30:57 UTC

Updated at

2024-09-11 00:30:57 UTC

NP-MRD ID

NP0335200

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Agavoside F

Description

Based on a literature review very few articles have been published on Agavoside F.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262303032D          

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M  END


  Mrv2104 05262303032D          

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   18.3600   -0.9122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9898   -1.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.2523    1.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5467    1.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1006    0.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4215    3.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6051    1.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0831   -0.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5293    1.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4637    3.2715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3497   -3.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5093    2.1236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6154    4.3624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6882    0.1308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1836   -0.8643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3685    4.9426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2492   -3.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5539   -0.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7128   -1.0081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9682    4.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1590    0.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0513    2.8400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9754    2.2945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7815    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0759    1.7011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6298    0.4184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2770    0.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7231    1.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0335200

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1

> <INCHI_IDENTIFIER>
InChI=1/C68H110O35/c1-22-10-13-68(89-20-22)23(2)38-33(103-68)15-31-29-9-8-27-14-28(11-12-66(27,6)30(29)16-37(73)67(31,38)7)93-62-50(85)45(80)54(35(18-70)95-62)98-63-51(86)46(81)55(36(19-71)96-63)99-65-58(102-59-47(82)41(76)32(72)21-88-59)56(42(77)34(17-69)94-65)100-64-57(101-61-49(84)44(79)40(75)25(4)91-61)52(87)53(26(5)92-64)97-60-48(83)43(78)39(74)24(3)90-60/h22-36,38-65,69-72,74-87H,8-21H2,1-7H3

> <INCHI_KEY>
JNWOJVVOILIUQX-UHFFFAOYNA-N

> <FORMULA>
C68H110O35

> <MOLECULAR_WEIGHT>
1487.593

> <EXACT_MASS>
1486.682765242

> <JCHEM_ACCEPTOR_COUNT>
35

> <JCHEM_ATOM_COUNT>
213

> <JCHEM_AVERAGE_POLARIZABILITY>
154.26933288550185

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
18

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
16'-({5-[(3,4-dihydroxy-5-{[5-hydroxy-4-({4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-10'-one

> <JCHEM_LOGP>
-3.9591831036666627

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
13

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.001439055468705

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.613003780867047

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6854851690661703

> <JCHEM_POLAR_SURFACE_AREA>
528.8900000000003

> <JCHEM_REFRACTIVITY>
336.40859999999964

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
16'-({5-[(3,4-dihydroxy-5-{[5-hydroxy-4-({4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-10'-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      -1.028   7.286   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.394   5.430   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.970  -7.297   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      38.884  -1.434   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      31.352  -4.545   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.437   6.320   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.685   6.131   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.974  10.359   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.436  10.269   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.467   6.344   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      14.512   6.499   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      12.975   6.409   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.987   6.594   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      14.357   9.161   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.112   9.886   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.900   6.230   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      26.585  -2.150   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.051   2.639   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      24.583   5.749   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.035   8.976   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      33.271   2.247   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.491   7.536   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.626   6.952   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      31.507  -7.207   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      38.038  -0.148   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      32.043  -3.168   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      12.820   9.072   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      15.203   7.875   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.745   8.893   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.591   7.606   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.208   8.803   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      33.962   3.623   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       5.744   9.179   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      27.276  -0.774   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      17.742   4.015   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      23.891   4.373   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       8.362   6.141   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       5.994   7.659   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      32.353  -8.494   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      38.729   1.228   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      33.116   4.910   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      28.814  -0.685   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      33.891  -8.405   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      37.883   2.515   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      19.971   5.480   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      24.046   1.710   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      31.578   4.820   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      34.582  -7.029   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      36.346   2.426   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      19.124   6.767   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      22.509   1.620   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      34.272  -1.703   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      33.581  -3.079   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      19.279   4.104   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      24.738   3.086   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      29.505   0.692   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      33.426  -0.416   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      28.659   1.978   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0      30.887   3.444   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      33.736  -5.742   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      35.654   1.050   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0      17.587   6.678   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0      21.663   2.907   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0      31.888  -0.506   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0      27.121   1.889   0.000  0.00  0.00           C+0
HETATM   66  C   UNK     0      12.128   7.696   0.000  0.00  0.00           C+0
HETATM   67  C   UNK     0       7.516   7.427   0.000  0.00  0.00           C+0
HETATM   68  C   UNK     0       3.531   8.035   0.000  0.00  0.00           C+0
HETATM   69  O   UNK     0      27.431  -3.437   0.000  0.00  0.00           O+0
HETATM   70  O   UNK     0      15.513   2.549   0.000  0.00  0.00           O+0
HETATM   71  O   UNK     0      26.120   5.838   0.000  0.00  0.00           O+0
HETATM   72  O   UNK     0      35.500   3.712   0.000  0.00  0.00           O+0
HETATM   73  O   UNK     0       7.671   4.764   0.000  0.00  0.00           O+0
HETATM   74  O   UNK     0      31.662  -9.870   0.000  0.00  0.00           O+0
HETATM   75  O   UNK     0      40.267   1.318   0.000  0.00  0.00           O+0
HETATM   76  O   UNK     0      33.807   6.286   0.000  0.00  0.00           O+0
HETATM   77  O   UNK     0      29.660  -1.971   0.000  0.00  0.00           O+0
HETATM   78  O   UNK     0      34.737  -9.691   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0      38.574   3.891   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0      21.508   5.570   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0      24.893   0.423   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0      30.732   6.107   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0      36.119  -6.939   0.000  0.00  0.00           O+0
HETATM   84  O   UNK     0      36.417   3.964   0.000  0.00  0.00           O+0
HETATM   85  O   UNK     0      19.815   8.143   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0      21.818   0.244   0.000  0.00  0.00           O+0
HETATM   87  O   UNK     0      35.809  -1.613   0.000  0.00  0.00           O+0
HETATM   88  O   UNK     0      31.734   2.157   0.000  0.00  0.00           O+0
HETATM   89  O   UNK     0       2.555   9.226   0.000  0.00  0.00           O+0
HETATM   90  O   UNK     0      32.199  -5.831   0.000  0.00  0.00           O+0
HETATM   91  O   UNK     0      36.501  -0.237   0.000  0.00  0.00           O+0
HETATM   92  O   UNK     0      31.197  -1.882   0.000  0.00  0.00           O+0
HETATM   93  O   UNK     0      16.741   7.964   0.000  0.00  0.00           O+0
HETATM   94  O   UNK     0      26.430   0.513   0.000  0.00  0.00           O+0
HETATM   95  O   UNK     0      16.896   5.301   0.000  0.00  0.00           O+0
HETATM   96  O   UNK     0      22.354   4.283   0.000  0.00  0.00           O+0
HETATM   97  O   UNK     0      34.427  -4.366   0.000  0.00  0.00           O+0
HETATM   98  O   UNK     0      20.125   2.818   0.000  0.00  0.00           O+0
HETATM   99  O   UNK     0      26.275   3.175   0.000  0.00  0.00           O+0
HETATM  100  O   UNK     0      31.042   0.781   0.000  0.00  0.00           O+0
HETATM  101  O   UNK     0      34.117   0.960   0.000  0.00  0.00           O+0
HETATM  102  O   UNK     0      29.350   3.354   0.000  0.00  0.00           O+0
HETATM  103  O   UNK     0       4.222   9.411   0.000  0.00  0.00           O+0
CONECT    1   22                                                            
CONECT    2   23                                                            
CONECT    3   24                                                            
CONECT    4   25                                                            
CONECT    5   26                                                            
CONECT    6   66                                                            
CONECT    7   67                                                            
CONECT    8    9   27                                                       
CONECT    9    8   29                                                       
CONECT   10   13   22                                                       
CONECT   11   12   28                                                       
CONECT   12   11   66                                                       
CONECT   13   10   68                                                       
CONECT   14   27   28                                                       
CONECT   15   31   33                                                       
CONECT   16   30   37                                                       
CONECT   17   34   69                                                       
CONECT   18   35   70                                                       
CONECT   19   36   71                                                       
CONECT   20   22   89                                                       
CONECT   21   32   88                                                       
CONECT   22    1   10   20                                                  
CONECT   23    2   38   68                                                  
CONECT   24    3   39   90                                                  
CONECT   25    4   40   91                                                  
CONECT   26    5   53   92                                                  
CONECT   27    8   14   66                                                  
CONECT   28   11   14   93                                                  
CONECT   29    9   30   31                                                  
CONECT   30   16   29   66                                                  
CONECT   31   15   29   67                                                  
CONECT   32   21   41   72                                                  
CONECT   33   15   38  103                                                  
CONECT   34   17   42   94                                                  
CONECT   35   18   54   95                                                  
CONECT   36   19   55   96                                                  
CONECT   37   16   67   73                                                  
CONECT   38   23   33   67                                                  
CONECT   39   24   43   74                                                  
CONECT   40   25   44   75                                                  
CONECT   41   32   47   76                                                  
CONECT   42   34   56   77                                                  
CONECT   43   39   48   78                                                  
CONECT   44   40   49   79                                                  
CONECT   45   50   54   80                                                  
CONECT   46   51   55   81                                                  
CONECT   47   41   59   82                                                  
CONECT   48   43   60   83                                                  
CONECT   49   44   61   84                                                  
CONECT   50   45   62   85                                                  
CONECT   51   46   63   86                                                  
CONECT   52   53   57   87                                                  
CONECT   53   26   52   97                                                  
CONECT   54   35   45   98                                                  
CONECT   55   36   46   99                                                  
CONECT   56   42   58  100                                                  
CONECT   57   52   64  101                                                  
CONECT   58   56   65  102                                                  
CONECT   59   47   88  102                                                  
CONECT   60   48   90   97                                                  
CONECT   61   49   91  101                                                  
CONECT   62   50   93   95                                                  
CONECT   63   51   96   98                                                  
CONECT   64   57   92  100                                                  
CONECT   65   58   94   99                                                  
CONECT   66    6   12   27   30                                             
CONECT   67    7   31   37   38                                             
CONECT   68   13   23   89  103                                             
CONECT   69   17                                                            
CONECT   70   18                                                            
CONECT   71   19                                                            
CONECT   72   32                                                            
CONECT   73   37                                                            
CONECT   74   39                                                            
CONECT   75   40                                                            
CONECT   76   41                                                            
CONECT   77   42                                                            
CONECT   78   43                                                            
CONECT   79   44                                                            
CONECT   80   45                                                            
CONECT   81   46                                                            
CONECT   82   47                                                            
CONECT   83   48                                                            
CONECT   84   49                                                            
CONECT   85   50                                                            
CONECT   86   51                                                            
CONECT   87   52                                                            
CONECT   88   21   59                                                       
CONECT   89   20   68                                                       
CONECT   90   24   60                                                       
CONECT   91   25   61                                                       
CONECT   92   26   64                                                       
CONECT   93   28   62                                                       
CONECT   94   34   65                                                       
CONECT   95   35   62                                                       
CONECT   96   36   63                                                       
CONECT   97   53   60                                                       
CONECT   98   54   63                                                       
CONECT   99   55   65                                                       
CONECT  100   56   64                                                       
CONECT  101   57   61                                                       
CONECT  102   58   59                                                       
CONECT  103   33   68                                                       
MASTER        0    0    0    0    0    0    0    0  103    0  230    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₆₈H₁₁₀O₃₅

Average Mass

1487.5930 Da

Monoisotopic Mass

1486.68277 Da

IUPAC Name

16'-({5-[(3,4-dihydroxy-5-{[5-hydroxy-4-({4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl)oxy]-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-10'-one

Traditional Name

CAS Registry Number

Not Available

SMILES

CC1C2C(CC3C4CCC5CC(CCC5(C)C4CC(=O)C23C)OC2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(O)C(OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)C4OC4OCC(O)C(O)C4O)C(O)C3O)C(O)C2O)OC11CCC(C)CO1

InChI Identifier

InChI=1/C68H110O35/c1-22-10-13-68(89-20-22)23(2)38-33(103-68)15-31-29-9-8-27-14-28(11-12-66(27,6)30(29)16-37(73)67(31,38)7)93-62-50(85)45(80)54(35(18-70)95-62)98-63-51(86)46(81)55(36(19-71)96-63)99-65-58(102-59-47(82)41(76)32(72)21-88-59)56(42(77)34(17-69)94-65)100-64-57(101-61-49(84)44(79)40(75)25(4)91-61)52(87)53(26(5)92-64)97-60-48(83)43(78)39(74)24(3)90-60/h22-36,38-65,69-72,74-87H,8-21H2,1-7H3

InChI Key

JNWOJVVOILIUQX-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	ChemAxon
pKa (Strongest Acidic)	11.61	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	35	ChemAxon
Hydrogen Donor Count	18	ChemAxon
Polar Surface Area	528.89 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	336.41 m³·mol⁻¹	ChemAxon
Polarizability	154.27 Å³	ChemAxon
Number of Rings	13	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 Agavoside F (NP0335200)

MOL for NP0335200 (Agavoside F)

3D MOL for NP0335200 (Agavoside F)

3D SDF for NP0335200 (Agavoside F)

3D-SDF for NP0335200 (Agavoside F)

PDB for NP0335200 (Agavoside F)

3D PDB for NP0335200 (Agavoside F)

SMILES for NP0335200 (Agavoside F)

INCHI for NP0335200 (Agavoside F)

Structure for NP0335200 (Agavoside F)

3D Structure for NP0335200 (Agavoside F)