NP-MRD: Showing NP-Card for Hygrolansamycin C (NP0332651)

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Record Information

Version

2.0

Created at

2024-03-15 15:45:08 UTC

Updated at

2024-11-01 01:38:32 UTC

NP-MRD ID

NP0332651

Natural Product DOI

https://doi.org/10.57994/1911

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Hygrolansamycin C

Description

Hygrolansamycin C belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Based on a literature review very few articles have been published on Hygrolansamycin C.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03152415452D          

 38 41  0  0  1  0            999 V2000
    4.0867   -2.3146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9342   -1.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1147   -1.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937   -1.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833   -1.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259   -0.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573   -0.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7354   -1.2579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2284   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8759   -0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6476   -0.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    0.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722    0.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3098    0.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5301    0.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589    1.2780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5031    1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698    1.3327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2795    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262    2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435    0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782    0.1785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6381    0.2979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1497   -0.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2950    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    1.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    1.5028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6700    1.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7217    2.3663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3767    2.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378    2.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    3.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 26  1  0  0  0  0
 27  7  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  6  0  0  0
 33 32  1  0  0  0  0
 33 16  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END


  Mrv2104 03152415452D          

 38 41  0  0  1  0            999 V2000
    4.0867   -2.3146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9342   -1.5038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1147   -1.5646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937   -1.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5833   -1.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0655   -1.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259   -0.6140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6573   -0.5742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1520   -2.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7354   -1.2579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309   -0.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2284   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8759   -0.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6476   -0.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360    0.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722    0.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3098    0.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5301    0.4288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3589    1.2780    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5031    1.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7332    0.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1698    1.3327    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2795    2.1504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6262    2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4729    0.8888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6435    0.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1782    0.1785    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6381    0.2979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1497   -0.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9428    1.0645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2950    2.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    1.3964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8534    1.5028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6700    1.6197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7217    2.3663    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3767    2.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378    2.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8127    3.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  5  9  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  6  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  2  0  0  0  0
 27 26  1  0  0  0  0
 27  7  1  0  0  0  0
 27 28  1  6  0  0  0
 28 29  1  1  0  0  0
 28 30  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  6  0  0  0
 33 32  1  0  0  0  0
 33 16  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 35 36  1  1  0  0  0
 35 37  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0332651

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12O[C@@]3(CC(=O)[C@H]1C)CC[C@@H](CC)\C=C\[C@H](OC(=O)\C(C)=C/CC(=O)NC1=CC(O)=CC2=C1O3)[C@H](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C28H35NO8/c1-5-18-7-8-23(17(4)30)35-27(34)15(2)6-9-24(33)29-21-13-19(31)12-20-25-16(3)22(32)14-28(36-25,11-10-18)37-26(20)21/h6-8,12-13,16-18,23,25,30-31H,5,9-11,14H2,1-4H3,(H,29,33)/b8-7+,15-6-/t16-,17+,18+,23+,25+,28+/m1/s1

> <INCHI_KEY>
WHCQMWUXVHTWEF-KIDLOCLGSA-N

> <FORMULA>
C28H35NO8

> <MOLECULAR_WEIGHT>
513.587

> <EXACT_MASS>
513.236267091

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
53.54741056759133

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,4R,5E,7S,10Z,20S,21S)-4-ethyl-17-hydroxy-7-[(1S)-1-hydroxyethyl]-10,21-dimethyl-8,24,26-trioxa-14-azatetracyclo[13.8.2.1^{1,20}.0^{19,25}]hexacosa-5,10,15,17,19(25)-pentaene-9,13,22-trione

> <JCHEM_LOGP>
4.464521527333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.317191096150772

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.415237779586901

> <JCHEM_PKA_STRONGEST_BASIC>
-3.049217695578128

> <JCHEM_POLAR_SURFACE_AREA>
131.39000000000001

> <JCHEM_REFRACTIVITY>
138.1902

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,4R,5E,7S,10Z,20S,21S)-4-ethyl-17-hydroxy-7-[(1S)-1-hydroxyethyl]-10,21-dimethyl-8,24,26-trioxa-14-azatetracyclo[13.8.2.1^{1,20}.0^{19,25}]hexacosa-5,10,15,17,19(25)-pentaene-9,13,22-trione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAR-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAR-24         0                                  
HETATM    1  O   UNK     0       7.629  -4.321   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       7.344  -2.807   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.814  -2.921   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.468  -3.673   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.956  -3.371   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.989  -2.145   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       0.795  -1.146   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.094  -1.072   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       2.150  -4.684   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       8.839  -2.348   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      10.138  -1.431   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.626  -1.948   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.835  -0.974   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      14.275  -1.519   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      12.574   0.554   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.148   1.150   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.912   0.134   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       8.456   0.800   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       8.137   2.386   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.539   1.967   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.102   1.329   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.050   2.488   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.255   4.014   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.036   4.955   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.749   1.659   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.201   1.621   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       0.333   0.333   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.191   0.556   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -2.146  -0.652   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -1.760   1.987   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       8.017   4.011   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.542   2.607   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.926   2.805   0.000  0.00  0.00           C+0
HETATM   34  H   UNK     0      12.451   3.023   0.000  0.00  0.00           H+0
HETATM   35  C   UNK     0      10.681   4.417   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.903   5.354   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.217   5.062   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       8.984   6.584   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    9                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6   27                                                       
CONECT    8    6                                                            
CONECT    9    5                                                            
CONECT   10    2   11                                                       
CONECT   11   10   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   33                                                  
CONECT   17   16   11   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   31   32                                             
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26    7   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   19   37                                                       
CONECT   32   19   33                                                       
CONECT   33   32   16   34   35                                             
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   31   38                                                  
CONECT   38   37                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₃₅NO₈

Average Mass

513.5870 Da

Monoisotopic Mass

513.23627 Da

IUPAC Name

(1S,4R,5E,7S,10Z,20S,21S)-4-ethyl-17-hydroxy-7-[(1S)-1-hydroxyethyl]-10,21-dimethyl-8,24,26-trioxa-14-azatetracyclo[13.8.2.1^{1,20}.0^{19,25}]hexacosa-5,10,15,17,19(25)-pentaene-9,13,22-trione

Traditional Name

(1S,4R,5E,7S,10Z,20S,21S)-4-ethyl-17-hydroxy-7-[(1S)-1-hydroxyethyl]-10,21-dimethyl-8,24,26-trioxa-14-azatetracyclo[13.8.2.1^{1,20}.0^{19,25}]hexacosa-5,10,15,17,19(25)-pentaene-9,13,22-trione

CAS Registry Number

Not Available

SMILES

[H][C@]12O[C@@]3(CC(=O)[C@H]1C)CC[C@@H](CC)\C=C\[C@H](OC(=O)\C(C)=C/CC(=O)NC1=CC(O)=CC2=C1O3)[C@H](C)O

InChI Identifier

InChI=1S/C28H35NO8/c1-5-18-7-8-23(17(4)30)35-27(34)15(2)6-9-24(33)29-21-13-19(31)12-20-25-16(3)22(32)14-28(36-25,11-10-18)37-26(20)21/h6-8,12-13,16-18,23,25,30-31H,5,9-11,14H2,1-4H3,(H,29,33)/b8-7+,15-6-/t16-,17+,18+,23+,25+,28+/m1/s1

InChI Key

WHCQMWUXVHTWEF-KIDLOCLGSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)	mmahm@dtu.dk	Technical university of Denmark	Manar	2024-03-20	View Spectrum
1D_ NMR	¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)	mmahm@dtu.dk	Technical university of Denmark	Manar	2024-03-20	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)	mmahm@dtu.dk	Technical university of Denmark	Manar	2024-03-20	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 800 MHz, CD3OD, experimental)	mmahm@dtu.dk	Technical university of Denmark	Manar	2024-03-20	View Spectrum
1D_ NMR	¹H NMR Spectrum (1D, 800 MHz, CD3OD, experimental)	mmahm@dtu.dk	Technical university of Denmark	Manar	2024-03-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
rapamycinicus		Not Available

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Fatty acid esters

Alternative Parents

Substituents

1-hydroxy-2-unsubstituted benzenoid
Ketal
Fatty acid ester
Benzenoid
Oxane
N-acyl-amine
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Cyclic ketone
Secondary alcohol
Lactone
Lactam
Ketone
Carboxylic acid ester
Carboxamide group
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic 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	4.46	ChemAxon
pKa (Strongest Acidic)	9.42	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	131.39 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	138.19 m³·mol⁻¹	ChemAxon
Polarizability	53.55 Å³	ChemAxon
Number of Rings	4	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

Not Available

Showing NP-Card for Hygrolansamycin C (NP0332651)

MOL for NP0332651 (Hygrolansamycin C)

3D MOL for NP0332651 (Hygrolansamycin C)

3D SDF for NP0332651 (Hygrolansamycin C)

3D-SDF for NP0332651 (Hygrolansamycin C)

PDB for NP0332651 (Hygrolansamycin C)

3D PDB for NP0332651 (Hygrolansamycin C)

SMILES for NP0332651 (Hygrolansamycin C)

INCHI for NP0332651 (Hygrolansamycin C)

Structure for NP0332651 (Hygrolansamycin C)

3D Structure for NP0332651 (Hygrolansamycin C)