TG(i-24:0/i-17:0/i-14:0)
  Mrv1652303052005492D          

 65 64  0  0  0  0            999 V2000
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   11.0062   -8.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 63 65  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0073836

> <DATABASE_NAME>
bmdb

> <SMILES>
[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C58H112O6/c1-52(2)44-38-32-26-20-16-13-11-9-7-8-10-12-14-18-22-29-35-41-47-56(59)62-50-55(51-63-57(60)48-42-36-30-25-24-28-34-40-46-54(5)6)64-58(61)49-43-37-31-23-19-15-17-21-27-33-39-45-53(3)4/h52-55H,7-51H2,1-6H3/t55-/m0/s1

> <INCHI_KEY>
RRWIJTAQEGPIAB-GNFJTHHVSA-N

> <FORMULA>
C58H112O6

> <MOLECULAR_WEIGHT>
905.528

> <EXACT_MASS>
904.845891326

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
176

> <JCHEM_AVERAGE_POLARIZABILITY>
123.48945171178612

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(15-methylhexadecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propyl 22-methyltricosanoate

> <ALOGPS_LOGP>
10.33

> <JCHEM_LOGP>
21.563479633333333

> <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>
273.3401

> <JCHEM_ROTATABLE_BOND_COUNT>
54

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.02e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(15-methylhexadecanoyl)oxy]-3-[(12-methyltridecanoyl)oxy]propyl 22-methyltricosanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0073836

> <GENERIC_NAME>
TG(i-24:0/i-17:0/i-14:0)

$$$$