TG(14:0/14:0/i-15:0)
  Mrv1652303072005322D          

 53 52  0  0  0  0            999 V2000
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   14.1456   -5.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7180   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7180   -9.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0039   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2898   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5756   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8615   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1474   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4333   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7192   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0050   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2909   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5768   -8.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4344   -8.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5457   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.8316   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1175   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4033   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6892   -6.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.6904   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2621   -7.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2621   -6.2106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  2  6  1  6  0  0  0
  2  7  1  1  0  0  0
 38  5  1  0  0  0  0
 23  6  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 51 52  1  0  0  0  0
 51 53  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0081009

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C46H88O6/c1-5-7-9-11-13-15-17-21-25-29-33-37-44(47)50-40-43(52-46(49)39-35-31-27-22-18-16-14-12-10-8-6-2)41-51-45(48)38-34-30-26-23-19-20-24-28-32-36-42(3)4/h42-43H,5-41H2,1-4H3/t43-/m0/s1

> <INCHI_KEY>
SKVWSOROTDWAST-QLKFWGTOSA-N

> <FORMULA>
C46H88O6

> <MOLECULAR_WEIGHT>
737.204

> <EXACT_MASS>
736.658090554

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
140

> <JCHEM_AVERAGE_POLARIZABILITY>
98.20940855734094

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,3-bis(tetradecanoyloxy)propyl 13-methyltetradecanoate

> <ALOGPS_LOGP>
10.19

> <JCHEM_LOGP>
16.543754790666668

> <ALOGPS_LOGS>
-7.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565867985366662

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
218.23290000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.25e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2,3-bis(tetradecanoyloxy)propyl 13-methyltetradecanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0081009

> <GENERIC_NAME>
TG(14:0/14:0/i-15:0)

$$$$