NP-MRD: Showing NP-Card for Gibberellin A38 glucosyl ester (NP0336692)

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Record Information

Version

2.0

Created at

2024-09-11 07:26:15 UTC

Updated at

2024-09-11 07:26:15 UTC

NP-MRD ID

NP0336692

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Gibberellin A38 glucosyl ester

Description

Gibberellin A38 glucosyl ester belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Gibberellin A38 glucosyl ester is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652307302018532D          

 39 44  0  0  1  0            999 V2000
    0.1402   -0.5589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0859    0.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1398    1.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.7793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8605    1.4821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4436    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954    0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7875    0.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144   -0.0035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3956   -1.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   -1.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727   -0.3037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3656   -1.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875   -0.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430   -1.1251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584   -0.7220    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3584    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    0.5173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6461   -0.3058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6523    1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7445    1.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1052    0.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    1.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590   -4.0192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2735   -4.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -4.4316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1552   -5.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8697   -4.0192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1552   -2.7816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1553   -1.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -2.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8697   -3.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591   -3.1942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5842   -4.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -5.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  2  1  6  0  0  0
  6  2  1  6  0  0  0
  8 10  2  0  0  0  0
  1  9  1  0  0  0  0
  5 11  1  1  0  0  0
  1 12  1  1  0  0  0
 12 13  2  0  0  0  0
 15 17  1  1  0  0  0
 14 15  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  6  0  0  0
 19 24  1  6  0  0  0
 25 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 24  2  0  0  0  0
 21  5  1  0  0  0  0
 22 18  1  1  0  0  0
 22  1  1  0  0  0  0
 20 14  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
  6 27  1  0  0  0  0
 32 30  1  0  0  0  0
 32 36  1  0  0  0  0
 30 28  1  0  0  0  0
 36 33  1  0  0  0  0
 28 37  1  0  0  0  0
 33 37  1  0  0  0  0
 28 29  1  1  0  0  0
 30 31  1  6  0  0  0
 32 38  1  1  0  0  0
 33 34  1  1  0  0  0
 37 35  1  6  0  0  0
 38 39  1  0  0  0  0
 12 34  1  0  0  0  0
M  END


  Mrv1652307302018532D          

 39 44  0  0  1  0            999 V2000
    0.1402   -0.5589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0859    0.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765    1.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1398    1.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.7793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8605    1.4821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4436    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954    0.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    0.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7875    0.4368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144   -0.0035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3956   -1.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   -1.5139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727    0.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0727   -0.3037    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3656   -1.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7875   -0.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6430   -1.1251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584   -0.7220    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3584    0.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6461    0.5173    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6461   -0.3058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6523    1.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7445    1.5119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1052    0.1596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5353    1.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5590   -4.0192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2735   -4.4316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -4.4316    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1552   -5.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8697   -4.0192    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1552   -2.7816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1553   -1.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2735   -2.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8697   -3.1942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5591   -3.1942    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5842   -4.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5842   -5.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  2  1  6  0  0  0
  6  2  1  6  0  0  0
  8 10  2  0  0  0  0
  1  9  1  0  0  0  0
  5 11  1  1  0  0  0
  1 12  1  1  0  0  0
 12 13  2  0  0  0  0
 15 17  1  1  0  0  0
 14 15  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  6  0  0  0
 19 24  1  6  0  0  0
 25 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 24  2  0  0  0  0
 21  5  1  0  0  0  0
 22 18  1  1  0  0  0
 22  1  1  0  0  0  0
 20 14  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
  6 27  1  0  0  0  0
 32 30  1  0  0  0  0
 32 36  1  0  0  0  0
 30 28  1  0  0  0  0
 36 33  1  0  0  0  0
 28 37  1  0  0  0  0
 33 37  1  0  0  0  0
 28 29  1  1  0  0  0
 30 31  1  6  0  0  0
 32 38  1  1  0  0  0
 33 34  1  1  0  0  0
 37 35  1  6  0  0  0
 38 39  1  0  0  0  0
 12 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0336692

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2

> <INCHI_IDENTIFIER>
InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1

> <INCHI_KEY>
DDEBJBVQDFATPL-MRSAJBKRSA-N

> <FORMULA>
C26H36O11

> <MOLECULAR_WEIGHT>
524.5574

> <EXACT_MASS>
524.225761994

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
52.77708492530874

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate

> <ALOGPS_LOGP>
-1.02

> <JCHEM_LOGP>
-1.688472344666667

> <ALOGPS_LOGS>
-1.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.173641348180304

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.193750968016312

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9047391125934444

> <JCHEM_POLAR_SURFACE_AREA>
183.20999999999998

> <JCHEM_REFRACTIVITY>
122.75979999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.55e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 30-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUL-20         0                                  
HETATM    1  C   UNK     0       0.262  -1.043   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.027   1.750   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.703   2.933   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.128   3.517   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.271   1.455   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.473   2.767   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.695   0.103   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.725   1.247   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.157   0.195   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.203   0.815   0.000  0.00  0.00           C+0
HETATM   11  H   UNK     0      -0.214  -0.007   0.000  0.00  0.00           H+0
HETATM   12  C   UNK     0       0.739  -2.507   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.246  -2.826   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.869   0.972   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.869  -0.567   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.549  -2.881   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -5.203  -1.333   0.000  0.00  0.00           O+0
HETATM   18  H   UNK     0      -1.200  -2.100   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0      -2.536  -1.348   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.536   1.743   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.206   0.966   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.206  -0.571   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.218   2.819   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.241   0.207   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -3.256   2.822   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.063   0.298   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.732   3.653   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.044  -7.502   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.377  -8.272   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -0.290  -8.272   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -0.290  -9.812   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.623  -7.502   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.290  -5.192   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -0.290  -3.653   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.377  -5.193   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.623  -5.962   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.044  -5.962   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.957  -8.272   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -2.957  -9.812   0.000  0.00  0.00           O+0
CONECT    1    9   12   22                                                  
CONECT    2    9    6                                                       
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    9   11   21                                             
CONECT    6    4    8    2   27                                             
CONECT    7    8    9                                                       
CONECT    8    6    7   10                                                  
CONECT    9    5    7    2    1                                             
CONECT   10    8                                                            
CONECT   11    5                                                            
CONECT   12    1   13   34                                                  
CONECT   13   12                                                            
CONECT   14   15   20                                                       
CONECT   15   17   14   19                                                  
CONECT   16   19                                                            
CONECT   17   15                                                            
CONECT   18   22                                                            
CONECT   19   22   24   15   16                                             
CONECT   20   21   14                                                       
CONECT   21   20   22   23    5                                             
CONECT   22   21   19   18    1                                             
CONECT   23   21   25                                                       
CONECT   24   19   25   26                                                  
CONECT   25   24   23                                                       
CONECT   26   24                                                            
CONECT   27    6                                                            
CONECT   28   30   37   29                                                  
CONECT   29   28                                                            
CONECT   30   32   28   31                                                  
CONECT   31   30                                                            
CONECT   32   30   36   38                                                  
CONECT   33   36   37   34                                                  
CONECT   34   33   12                                                       
CONECT   35   37                                                            
CONECT   36   32   33                                                       
CONECT   37   28   33   35                                                  
CONECT   38   32   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

View in JSmol

Synonyms

Value	Source
GA38 glucosyl ester	HMDB
Gibberellin A38 glucosyl ester	HMDB

Chemical Formula

C₂₆H₃₆O₁₁

Average Mass

524.5574 Da

Monoisotopic Mass

524.22576 Da

IUPAC Name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate

Traditional Name

CAS Registry Number

Not Available

SMILES

[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2

InChI Identifier

InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1

InChI Key

DDEBJBVQDFATPL-MRSAJBKRSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Diterpene glycosides

Alternative Parents

Substituents

Diterpene glycoside
20-norgibberellane diterpenoid
Diterpene lactone
Diterpenoid
Gibberellin
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Hexose monosaccharide
Delta valerolactone
Delta_valerolactone
Oxane
Monosaccharide
Dicarboxylic acid or derivatives
Fatty acyl
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Lactone
Secondary alcohol
Polyol
Carboxylic acid derivative
Acetal
Organoheterocyclic compound
Oxacycle
Alcohol
Organooxygen compound
Primary alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
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
logP	-1	ALOGPS
logP	-1.7	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	12.19	ChemAxon
pKa (Strongest Basic)	-0.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.21 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	122.76 m³·mol⁻¹	ChemAxon
Polarizability	52.78 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0036903

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB015866

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

101288418

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Gibberellin A38 glucosyl ester (NP0336692)

MOL for NP0336692 (Gibberellin A38 glucosyl ester)

3D MOL for NP0336692 (Gibberellin A38 glucosyl ester)

3D SDF for NP0336692 (Gibberellin A38 glucosyl ester)

3D-SDF for NP0336692 (Gibberellin A38 glucosyl ester)

PDB for NP0336692 (Gibberellin A38 glucosyl ester)

3D PDB for NP0336692 (Gibberellin A38 glucosyl ester)

SMILES for NP0336692 (Gibberellin A38 glucosyl ester)

INCHI for NP0336692 (Gibberellin A38 glucosyl ester)

Structure for NP0336692 (Gibberellin A38 glucosyl ester)

3D Structure for NP0336692 (Gibberellin A38 glucosyl ester)