NP-MRD: Showing NP-Card for Sarcglabtene L (NP0351341)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2025-07-21 07:48:37 UTC

Updated at

2025-09-03 03:36:07 UTC

NP-MRD ID

NP0351341

Natural Product DOI

https://doi.org/10.57994/4362

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Sarcglabtene L

Description

Based on a literature review very few articles have been published on Sarcglabtene L.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01252300592D          

 40 46  0  0  1  0            999 V2000
    8.2085    4.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6564    3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8359    3.4836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5004    2.7299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0155    3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    2.1779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3598    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8280    2.5904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4954    3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5424    2.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5424    1.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8280    0.9404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1605    0.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    1.3529    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3990    0.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3990    0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845   -0.2971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3490    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -0.9645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9945   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2274   -1.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7795   -1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3990   -2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6845   -2.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -2.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1526   -2.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5440   -0.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999   -1.3770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8999   -0.5520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1854   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9395   -2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135   -0.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1555    0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8200    0.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9995    0.1334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2325   -0.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  3  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 24 28  2  0  0  0  0
 19 29  1  6  0  0  0
 19 30  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 17 32  1  0  0  0  0
 32 33  1  1  0  0  0
 31 33  1  1  0  0  0
 30 34  2  0  0  0  0
 16 35  2  0  0  0  0
 11 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 12 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END


  Mrv2104 01252300592D          

 40 46  0  0  1  0            999 V2000
    8.2085    4.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6564    3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8359    3.4836    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5004    2.7299    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0155    3.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    2.1779    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3598    1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8280    2.5904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4954    3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5424    2.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5424    1.3529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8280    0.9404    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1605    0.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135    1.3529    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3990    0.9404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3990    0.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845   -0.2971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3490    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1695   -0.9645    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9945   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4070   -1.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2274   -1.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7795   -1.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3990   -2.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6845   -2.9847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -2.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2644   -2.6042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1526   -2.9078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5440   -0.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6845   -1.6320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999   -1.3770    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8999   -0.5520    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1854   -0.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9395   -2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1135   -0.2971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1555    0.8009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9625    0.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8200    0.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9995    0.1334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2325   -0.6673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  3  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  6  0  0  0
 14 12  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  1  0  0  0  0
 17 16  1  6  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 26 27  2  0  0  0  0
 24 28  2  0  0  0  0
 19 29  1  6  0  0  0
 19 30  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 17 32  1  0  0  0  0
 32 33  1  1  0  0  0
 31 33  1  1  0  0  0
 30 34  2  0  0  0  0
 16 35  2  0  0  0  0
 11 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 12 39  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0351341

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]1(CC2=C(C)C(=O)OC2=O)C(=C)[C@H]2C[C@H]2[C@]1(C)C(=O)O[C@@H]1[C@]2(O)OC(=O)C(C)=C2C[C@@]2([H])C(=C)[C@H]3C[C@H]3[C@]12C

> <INCHI_IDENTIFIER>
InChI=1S/C30H32O8/c1-11-16-8-22(16)29(6,18(11)9-17-13(3)23(31)36-25(17)33)27(34)37-26-28(5)19(12(2)15-7-21(15)28)10-20-14(4)24(32)38-30(20,26)35/h15-16,18-19,21-22,26,35H,1-2,7-10H2,3-6H3/t15-,16-,18+,19+,21-,22-,26+,28-,29-,30-/m1/s1

> <INCHI_KEY>
HDUJEAKYDOLYKP-TZZPBPMKSA-N

> <FORMULA>
C30H32O8

> <MOLECULAR_WEIGHT>
520.578

> <EXACT_MASS>
520.20971799

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
53.233175198987354

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,7R,8S,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0^{3,7}.0^{10,12}]tridec-3-en-8-yl (1R,2S,3S,5S)-2-methyl-3-[(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)methyl]-4-methylidenebicyclo[3.1.0]hexane-2-carboxylate

> <JCHEM_LOGP>
4.447772356666665

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.321191605083143

> <JCHEM_PKA_STRONGEST_BASIC>
-4.845310791936632

> <JCHEM_POLAR_SURFACE_AREA>
116.20000000000002

> <JCHEM_REFRACTIVITY>
133.22909999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,7R,8S,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0^{3,7}.0^{10,12}]tridec-3-en-8-yl (1R,2S,3S,5S)-2-methyl-3-[(4-methyl-2,5-dioxofuran-3-yl)methyl]-4-methylidenebicyclo[3.1.0]hexane-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-JAN-23         0                                  
HETATM    1  C   UNK     0      15.322   7.486   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.292   6.342   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.760   6.503   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.134   5.096   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.229   6.342   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.279   4.065   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.872   3.439   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.612   4.835   0.000  0.00  0.00           C+0
HETATM    9  H   UNK     0      15.858   5.741   0.000  0.00  0.00           H+0
HETATM   10  C   UNK     0      15.946   4.065   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      15.946   2.525   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.612   1.755   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      13.366   0.850   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      13.279   2.525   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      11.945   1.755   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      11.945   0.215   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.611  -0.555   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.985   0.852   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.516  -1.800   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.056  -1.800   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      13.826  -3.134   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      15.358  -3.295   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.388  -2.151   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.678  -4.801   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      14.344  -5.571   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      13.200  -4.541   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      11.694  -4.861   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      17.085  -5.428   0.000  0.00  0.00           O+0
HETATM   29  H   UNK     0      12.215  -0.428   0.000  0.00  0.00           H+0
HETATM   30  C   UNK     0      10.611  -3.046   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.147  -2.570   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       9.147  -1.030   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       7.813  -1.800   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.087  -4.511   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      13.279  -0.555   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      17.090   1.495   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      18.597   1.815   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      16.464   0.088   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      14.932   0.249   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      17.234  -1.246   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4    3                                                       
CONECT    6    4    7    8   14                                             
CONECT    7    6                                                            
CONECT    8    6    2    9   10                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   36                                                  
CONECT   12   11   13   14   39                                             
CONECT   13   12                                                            
CONECT   14   12    6   15                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   35                                                  
CONECT   17   16   18   19   32                                             
CONECT   18   17                                                            
CONECT   19   17   20   29   30                                             
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   28                                                  
CONECT   25   24   26                                                       
CONECT   26   25   21   27                                                  
CONECT   27   26                                                            
CONECT   28   24                                                            
CONECT   29   19                                                            
CONECT   30   19   31   34                                                  
CONECT   31   30   32   33                                                  
CONECT   32   31   17   33                                                  
CONECT   33   32   31                                                       
CONECT   34   30                                                            
CONECT   35   16                                                            
CONECT   36   11   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38   12                                                       
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   92    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₃₂O₈

Average Mass

520.5780 Da

Monoisotopic Mass

520.20972 Da

IUPAC Name

(1S,7R,8S,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0^{3,7}.0^{10,12}]tridec-3-en-8-yl (1R,2S,3S,5S)-2-methyl-3-[(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)methyl]-4-methylidenebicyclo[3.1.0]hexane-2-carboxylate

Traditional Name

(1S,7R,8S,9S,10R,12S)-7-hydroxy-4,9-dimethyl-13-methylidene-5-oxo-6-oxatetracyclo[7.4.0.0^{3,7}.0^{10,12}]tridec-3-en-8-yl (1R,2S,3S,5S)-2-methyl-3-[(4-methyl-2,5-dioxofuran-3-yl)methyl]-4-methylidenebicyclo[3.1.0]hexane-2-carboxylate

CAS Registry Number

Not Available

SMILES

[H][C@]1(CC2=C(C)C(=O)OC2=O)C(=C)[C@H]2C[C@H]2[C@]1(C)C(=O)O[C@@H]1[C@]2(O)OC(=O)C(C)=C2C[C@@]2([H])C(=C)[C@H]3C[C@H]3[C@]12C

InChI Identifier

InChI=1S/C30H32O8/c1-11-16-8-22(16)29(6,18(11)9-17-13(3)23(31)36-25(17)33)27(34)37-26-28(5)19(12(2)15-7-21(15)28)10-20-14(4)24(32)38-30(20,26)35/h15-16,18-19,21-22,26,35H,1-2,7-10H2,3-6H3/t15-,16-,18+,19+,21-,22-,26+,28-,29-,30-/m1/s1

InChI Key

HDUJEAKYDOLYKP-TZZPBPMKSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	中国药科大学	Danyang Zhang	2025-07-21	View Spectrum
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	中国药科大学	Danyang Zhang	2025-07-21	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	中国药科大学	Danyang Zhang	2025-07-21	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	[email protected]	中国药科大学	Danyang Zhang	2025-07-21	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	[email protected]	中国药科大学	Danyang Zhang	2025-07-21	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	[email protected]	中国药科大学	Danyang Zhang	2025-07-21	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Sarcandra Sarcandra glabra		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	4.45	ChemAxon
pKa (Strongest Acidic)	10.32	ChemAxon
pKa (Strongest Basic)	-4.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	116.2 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	133.23 m³·mol⁻¹	ChemAxon
Polarizability	53.23 Å³	ChemAxon
Number of Rings	7	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

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

Showing NP-Card for Sarcglabtene L (NP0351341)

MOL for NP0351341 (Sarcglabtene L)

3D MOL for NP0351341 (Sarcglabtene L)

3D SDF for NP0351341 (Sarcglabtene L)

3D-SDF for NP0351341 (Sarcglabtene L)

PDB for NP0351341 (Sarcglabtene L)

3D PDB for NP0351341 (Sarcglabtene L)

SMILES for NP0351341 (Sarcglabtene L)

INCHI for NP0351341 (Sarcglabtene L)

Structure for NP0351341 (Sarcglabtene L)

3D Structure for NP0351341 (Sarcglabtene L)