TG(i-20:0/12:0/i-12:0)
  Mrv1652303192020112D          

 53 52  0  0  0  0            999 V2000
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    9.8342   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1201   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4059   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   22.4686   -9.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7544   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0403   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3262   -8.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6121   -8.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
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 51 53  1  0  0  0  0
M  END
> <DATABASE_ID>
BMDB0067525

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C47H90O6/c1-6-7-8-9-10-17-22-29-34-39-47(50)53-44(41-52-46(49)38-33-28-24-23-26-31-36-43(4)5)40-51-45(48)37-32-27-21-19-16-14-12-11-13-15-18-20-25-30-35-42(2)3/h42-44H,6-41H2,1-5H3/t44-/m1/s1

> <INCHI_KEY>
VZYBUDWGMBJHER-USYZEHPZSA-N

> <FORMULA>
C47H90O6

> <MOLECULAR_WEIGHT>
751.231

> <EXACT_MASS>
750.673740618

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
143

> <JCHEM_AVERAGE_POLARIZABILITY>
100.19744339068882

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-(dodecanoyloxy)-3-[(10-methylundecanoyl)oxy]propyl 18-methylnonadecanoate

> <ALOGPS_LOGP>
10.04

> <JCHEM_LOGP>
16.830773886999996

> <ALOGPS_LOGS>
-7.79

> <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>
222.78150000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.21e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-(dodecanoyloxy)-3-[(10-methylundecanoyl)oxy]propyl 18-methylnonadecanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0067525

> <GENERIC_NAME>
TG(i-20:0/12:0/i-12:0)

$$$$