1-14-methylhexadecanoyl-2-10-methyldodecanoyl-3-13-methyltetradecanoyl-sn-glycerol TG(a-17:0/a-13:0/i-15:0)[rac]
  Mrv1652303072012082D          

 55 54  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
BMDB0087025

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C48H92O6/c1-7-43(5)35-29-23-17-13-9-10-14-18-25-31-37-46(49)52-40-45(54-48(51)39-33-27-21-20-24-30-36-44(6)8-2)41-53-47(50)38-32-26-19-15-11-12-16-22-28-34-42(3)4/h42-45H,7-41H2,1-6H3/t43?,44?,45-/m0/s1

> <INCHI_KEY>
RUYGWYBIICKLBY-ZWTXWKRYSA-N

> <FORMULA>
C48H92O6

> <MOLECULAR_WEIGHT>
765.258

> <EXACT_MASS>
764.689390682

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
146

> <JCHEM_AVERAGE_POLARIZABILITY>
101.73771618981328

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(10-methyldodecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propyl 14-methylhexadecanoate

> <ALOGPS_LOGP>
10.09

> <JCHEM_LOGP>
17.117792983333334

> <ALOGPS_LOGS>
-7.87

> <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>
227.33010000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.04e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(10-methyldodecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propyl 14-methylhexadecanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0087025

> <GENERIC_NAME>
TG(a-17:0/a-13:0/i-15:0)[rac]

$$$$