1-dodecanoyl-2-hexadecanoyl-3-pentacosanoyl-sn-glycerol TG(12:0/16:0/25:0)
  Mrv1652306231618112D          

 63 62  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
YMDB15818

> <DATABASE_NAME>
YMDB

> <SMILES>
[H][C@](COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C56H108O6/c1-4-7-10-13-16-19-21-23-24-25-26-27-28-29-30-31-33-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-22-20-17-14-11-8-5-2/h53H,4-52H2,1-3H3/t53-/m0/s1

> <INCHI_KEY>
PYFVZJGFWKPFJY-DTSDQNDWSA-N

> <FORMULA>
C56H108O6

> <MOLECULAR_WEIGHT>
877.474

> <EXACT_MASS>
876.814591198

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
170

> <JCHEM_AVERAGE_POLARIZABILITY>
120.04616811679739

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl pentacosanoate

> <ALOGPS_LOGP>
10.69

> <JCHEM_LOGP>
21.146991009333334

> <ALOGPS_LOGS>
-7.90

> <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>
264.2953

> <JCHEM_ROTATABLE_BOND_COUNT>
55

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.11e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-(dodecanoyloxy)-2-(hexadecanoyloxy)propyl pentacosanoate

> <JCHEM_VEBER_RULE>
0

> <YMDB_ID>
YMDB15818

> <GENERIC_NAME>
TG(12:0/16:0/25:0)

$$$$