TG(i-21:0/i-24:0/i-12:0)
  Mrv1652303192020122D          

 66 65  0  0  0  0            999 V2000
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    8.9003   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 64 66  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0070382

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C60H116O6/c1-54(2)46-40-34-28-24-20-16-12-9-7-8-10-14-19-23-27-31-39-45-51-60(63)66-57(53-65-59(62)50-44-38-33-32-36-42-48-56(5)6)52-64-58(61)49-43-37-30-26-22-18-15-11-13-17-21-25-29-35-41-47-55(3)4/h54-57H,7-53H2,1-6H3/t57-/m1/s1

> <INCHI_KEY>
HOMYXSMHFRGMKL-ODEQYEIHSA-N

> <FORMULA>
C60H116O6

> <MOLECULAR_WEIGHT>
933.582

> <EXACT_MASS>
932.877191455

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
182

> <JCHEM_AVERAGE_POLARIZABILITY>
127.68222293745225

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-1-[(19-methylicosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propan-2-yl 22-methyltricosanoate

> <ALOGPS_LOGP>
10.36

> <JCHEM_LOGP>
22.452616963333337

> <ALOGPS_LOGS>
-7.96

> <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>
282.5421

> <JCHEM_ROTATABLE_BOND_COUNT>
56

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.03e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-1-[(19-methylicosanoyl)oxy]-3-[(10-methylundecanoyl)oxy]propan-2-yl 22-methyltricosanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0070382

> <GENERIC_NAME>
TG(i-21:0/i-24:0/i-12:0)

$$$$