1,2-diheptadecanoyl-3-10-methyldodecanoyl-sn-glycerol TG(17:0/17:0/a-13:0)[rac]
  Mrv1652303072012112D          

 57 56  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
BMDB0087065

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C50H96O6/c1-5-8-10-12-14-16-18-20-22-24-26-28-33-37-41-48(51)54-44-47(45-55-49(52)42-38-34-31-30-32-36-40-46(4)7-3)56-50(53)43-39-35-29-27-25-23-21-19-17-15-13-11-9-6-2/h46-47H,5-45H2,1-4H3/t46?,47-/m0/s1

> <INCHI_KEY>
NOABYSHZZWEKDQ-BRQCZXMFSA-N

> <FORMULA>
C50H96O6

> <MOLECULAR_WEIGHT>
793.312

> <EXACT_MASS>
792.720690811

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
152

> <JCHEM_AVERAGE_POLARIZABILITY>
106.63768009239553

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-1-(heptadecanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl heptadecanoate

> <ALOGPS_LOGP>
10.46

> <JCHEM_LOGP>
18.32202945066667

> <ALOGPS_LOGS>
-7.83

> <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>
236.63690000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
48

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-1-(heptadecanoyloxy)-3-[(10-methyldodecanoyl)oxy]propan-2-yl heptadecanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0087065

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

$$$$