TG(i-12:0/i-18:0/i-24:0)
  Mrv1652303192020132D          

 63 62  0  0  0  0            999 V2000
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   14.6132   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4709   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0426   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0426   -7.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4300   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.7159   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0018   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2876   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5735   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8594   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1453   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4311   -5.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.2888   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7193   -4.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7193   -5.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  1  0  0  0  0
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  9 10  1  0  0  0  0
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 61 62  1  0  0  0  0
 61 63  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0077305

> <DATABASE_NAME>
bmdb

> <SMILES>
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C57H110O6/c1-51(2)43-37-31-25-21-17-13-11-9-7-8-10-12-14-19-23-27-34-40-46-55(58)61-49-54(50-62-56(59)47-41-35-30-29-33-39-45-53(5)6)63-57(60)48-42-36-28-24-20-16-15-18-22-26-32-38-44-52(3)4/h51-54H,7-50H2,1-6H3/t54-/m0/s1

> <INCHI_KEY>
MIFVXSOEJZKXRQ-XSMLMOGHSA-N

> <FORMULA>
C57H110O6

> <MOLECULAR_WEIGHT>
891.501

> <EXACT_MASS>
890.830241262

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
173

> <JCHEM_AVERAGE_POLARIZABILITY>
121.43265032947

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(16-methylheptadecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propyl 22-methyltricosanoate

> <ALOGPS_LOGP>
10.32

> <JCHEM_LOGP>
21.11891096833334

> <ALOGPS_LOGS>
-7.95

> <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>
268.7391

> <JCHEM_ROTATABLE_BOND_COUNT>
53

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.01e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(16-methylheptadecanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propyl 22-methyltricosanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0077305

> <GENERIC_NAME>
TG(i-12:0/i-18:0/i-24:0)

$$$$