NP-MRD: Showing NP-Card for Cauloside F (NP0140633)

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Record Information

Version

1.0

Created at

2022-06-29 21:44:05 UTC

Updated at

2022-06-29 21:44:05 UTC

NP-MRD ID

NP0140633

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Cauloside F

Description

Cauloside F belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton. Cauloside F is found in Anemone tetrasepala, Hedera helix and Pulsatilla campanella. It was first documented in 2014 (PMID: 24615060). Based on a literature review very few articles have been published on Cauloside F (PMID: 28911735).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306292223442D          

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M  END

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M  END


  Mrv1652306292223442D          

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   -1.0974   -3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0140633

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C59H96O27/c1-24-34(63)39(68)43(72)48(80-24)78-21-29-37(66)41(70)44(73)49(82-29)79-22-30-38(67)42(71)46(75)51(83-30)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-61)31(55)10-13-58(32,7)57(25,6)15-17-59)84-52-47(35(64)27(62)20-77-52)85-50-45(74)40(69)36(65)28(19-60)81-50/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1

> <INCHI_KEY>
KWXBKEINOHVSGJ-FBCAOFFQSA-N

> <FORMULA>
C59H96O27

> <MOLECULAR_WEIGHT>
1237.39

> <EXACT_MASS>
1236.613897831

> <JCHEM_ACCEPTOR_COUNT>
26

> <JCHEM_ATOM_COUNT>
182

> <JCHEM_AVERAGE_POLARIZABILITY>
129.81189907671776

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
16

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate

> <ALOGPS_LOGP>
-0.02

> <JCHEM_LOGP>
-2.360103490666669

> <ALOGPS_LOGS>
-2.89

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.083028670172457

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.67301720569085

> <JCHEM_PKA_STRONGEST_BASIC>
-3.678620199591437

> <JCHEM_POLAR_SURFACE_AREA>
433.0500000000001

> <JCHEM_REFRACTIVITY>
289.97739999999993

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}methyl)oxan-2-yl (4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-{[(2S,3R,4S,5S)-4,5-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-JUN-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUN-22         0                                  
HETATM    1  C   UNK     0     -24.378  -5.184   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -22.838  -5.184   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -22.068  -3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -20.528  -3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -19.758  -5.184   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -20.528  -6.517   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0     -22.068  -6.517   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0     -19.758  -7.851   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0     -18.218  -7.851   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -17.448  -9.185   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -18.218 -10.518   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -17.448 -11.852   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -15.908 -11.852   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -15.138 -10.518   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0     -15.908  -9.185   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0     -13.598 -10.518   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0     -12.828  -9.185   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -11.288  -9.185   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -10.518 -10.518   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -8.978 -10.518   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -8.208  -9.185   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -8.978  -7.851   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -10.518  -7.851   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -8.208  -6.517   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -6.668  -6.517   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -5.898  -7.851   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -5.898  -5.184   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -5.128  -6.517   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.588  -6.517   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.818  -5.184   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -3.588  -3.850   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -2.818  -2.516   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.278  -2.516   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -0.508  -3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.278  -5.184   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -0.508  -6.517   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.032  -6.517   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.802  -5.184   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.032  -3.850   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       1.802  -2.516   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       3.342  -2.516   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       4.112  -3.850   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.342  -5.184   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       4.648  -6.000   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       3.395  -6.723   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       4.755  -7.446   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0       5.652  -3.850   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0       6.422  -2.516   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       5.652  -1.183   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       6.422   0.151   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       7.962   0.151   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       8.732  -1.183   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       7.962  -2.516   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0       8.732   1.485   0.000  0.00  0.00           O+0
HETATM   55  O   UNK     0       5.652   1.485   0.000  0.00  0.00           O+0
HETATM   56  O   UNK     0       4.112  -1.183   0.000  0.00  0.00           O+0
HETATM   57  C   UNK     0       3.342   0.151   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       1.802   0.151   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       1.032   1.485   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       1.802   2.818   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       3.342   2.818   0.000  0.00  0.00           C+0
HETATM   62  O   UNK     0       4.112   1.485   0.000  0.00  0.00           O+0
HETATM   63  C   UNK     0       4.112   4.152   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0       3.342   5.486   0.000  0.00  0.00           O+0
HETATM   65  O   UNK     0       1.032   4.152   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      -0.508   1.485   0.000  0.00  0.00           O+0
HETATM   67  O   UNK     0       1.032  -1.183   0.000  0.00  0.00           O+0
HETATM   68  C   UNK     0       0.262  -2.516   0.000  0.00  0.00           C+0
HETATM   69  C   UNK     0      -2.048  -6.517   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0      -5.128  -3.850   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0      -5.898  -2.516   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      -7.438  -2.516   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      -8.208  -3.850   0.000  0.00  0.00           C+0
HETATM   74  C   UNK     0      -7.438  -5.184   0.000  0.00  0.00           C+0
HETATM   75  C   UNK     0      -7.492  -0.977   0.000  0.00  0.00           C+0
HETATM   76  C   UNK     0      -8.744  -1.700   0.000  0.00  0.00           C+0
HETATM   77  C   UNK     0      -2.979  -6.715   0.000  0.00  0.00           C+0
HETATM   78  O   UNK     0      -6.668  -9.185   0.000  0.00  0.00           O+0
HETATM   79  O   UNK     0      -8.208 -11.852   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0     -11.288 -11.852   0.000  0.00  0.00           O+0
HETATM   81  O   UNK     0     -15.138 -13.186   0.000  0.00  0.00           O+0
HETATM   82  O   UNK     0     -18.218 -13.186   0.000  0.00  0.00           O+0
HETATM   83  O   UNK     0     -19.758 -10.518   0.000  0.00  0.00           O+0
HETATM   84  O   UNK     0     -18.218  -5.184   0.000  0.00  0.00           O+0
HETATM   85  O   UNK     0     -19.758  -2.516   0.000  0.00  0.00           O+0
HETATM   86  O   UNK     0     -22.838  -2.516   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4   86                                                  
CONECT    4    3    5   85                                                  
CONECT    5    4    6   84                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6    2                                                       
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12   83                                                  
CONECT   12   11   13   82                                                  
CONECT   13   12   14   81                                                  
CONECT   14   13   15   16                                                  
CONECT   15   14   10                                                       
CONECT   16   14   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20   80                                                  
CONECT   20   19   21   79                                                  
CONECT   21   20   22   78                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   18                                                       
CONECT   24   22   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   70   74                                             
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   35   77                                             
CONECT   31   30   32   70                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   39                                                  
CONECT   35   34   30   36   69                                             
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   43                                                  
CONECT   39   38   34   40   68                                             
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   47                                                  
CONECT   43   42   38   44   45                                             
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45                                                            
CONECT   47   42   48                                                       
CONECT   48   47   49   53                                                  
CONECT   49   48   50   56                                                  
CONECT   50   49   51   55                                                  
CONECT   51   50   52   54                                                  
CONECT   52   51   53                                                       
CONECT   53   52   48                                                       
CONECT   54   51                                                            
CONECT   55   50                                                            
CONECT   56   49   57                                                       
CONECT   57   56   58   62                                                  
CONECT   58   57   59   67                                                  
CONECT   59   58   60   66                                                  
CONECT   60   59   61   65                                                  
CONECT   61   60   62   63                                                  
CONECT   62   61   57                                                       
CONECT   63   61   64                                                       
CONECT   64   63                                                            
CONECT   65   60                                                            
CONECT   66   59                                                            
CONECT   67   58                                                            
CONECT   68   39                                                            
CONECT   69   35                                                            
CONECT   70   31   27   71                                                  
CONECT   71   70   72                                                       
CONECT   72   71   73   75   76                                             
CONECT   73   72   74                                                       
CONECT   74   73   27                                                       
CONECT   75   72                                                            
CONECT   76   72                                                            
CONECT   77   30                                                            
CONECT   78   21                                                            
CONECT   79   20                                                            
CONECT   80   19                                                            
CONECT   81   13                                                            
CONECT   82   12                                                            
CONECT   83   11                                                            
CONECT   84    5                                                            
CONECT   85    4                                                            
CONECT   86    3                                                            
MASTER        0    0    0    0    0    0    0    0   86    0  190    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₅₉H₉₆O₂₇

Average Mass

1237.3900 Da

Monoisotopic Mass

1236.61390 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C59H96O27/c1-24-34(63)39(68)43(72)48(80-24)78-21-29-37(66)41(70)44(73)49(82-29)79-22-30-38(67)42(71)46(75)51(83-30)86-53(76)59-16-14-54(2,3)18-26(59)25-8-9-32-55(4)12-11-33(56(5,23-61)31(55)10-13-58(32,7)57(25,6)15-17-59)84-52-47(35(64)27(62)20-77-52)85-50-45(74)40(69)36(65)28(19-60)81-50/h8,24,26-52,60-75H,9-23H2,1-7H3/t24-,26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37+,38+,39+,40-,41-,42-,43+,44+,45+,46+,47+,48+,49+,50-,51-,52-,55-,56-,57+,58+,59-/m0/s1

InChI Key

KWXBKEINOHVSGJ-FBCAOFFQSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anemone tetrasepala	LOTUS Database	35616633
Hedera helix	LOTUS Database	35616633
Pulsatilla campanella	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpene saponins. These are glycosylated derivatives of triterpene sapogenins. The sapogenin moiety backbone is usually based on the oleanane, ursane, taraxastane, bauerane, lanostane, lupeol, lupane, dammarane, cycloartane, friedelane, hopane, 9b,19-cyclo-lanostane, cycloartane, or cycloartanol skeleton.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Triterpene saponins

Alternative Parents

Substituents

Triterpene saponin
Triterpenoid
Oligosaccharide
Steroid
O-glycosyl compound
Glycosyl compound
Oxane
Secondary alcohol
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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

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

60600299

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102004666

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Choi NH, Jang JY, Choi GJ, Choi YH, Jang KS, Nguyen VT, Min BS, Le Dang Q, Kim JC: Antifungal activity of sterols and dipsacus saponins isolated from Dipsacus asper roots against phytopathogenic fungi. Pestic Biochem Physiol. 2017 Sep;141:103-108. doi: 10.1016/j.pestbp.2016.12.006. Epub 2016 Dec 18. [PubMed:28911735 ]
Liu EW, Wang JL, Han LF, Chang YX, Wang T, Huo Y, Wang L, Gao XM: Pharmacokinetics study of asperosaponin VI and its metabolites cauloside A, HN saponin F and hederagenin. J Nat Med. 2014 Jul;68(3):488-97. doi: 10.1007/s11418-014-0821-4. Epub 2014 Mar 11. [PubMed:24615060 ]

Showing NP-Card for Cauloside F (NP0140633)

MOL for NP0140633 (Cauloside F)

3D MOL for NP0140633 (Cauloside F)

3D SDF for NP0140633 (Cauloside F)

3D-SDF for NP0140633 (Cauloside F)

PDB for NP0140633 (Cauloside F)

3D PDB for NP0140633 (Cauloside F)

SMILES for NP0140633 (Cauloside F)

INCHI for NP0140633 (Cauloside F)

Structure for NP0140633 (Cauloside F)

3D Structure for NP0140633 (Cauloside F)