1-22-methyltricosanoyl-2-12-methyltetradecanoyl-3-decanoyl-sn-glycerol TG(i-24:0/a-15:0/10:0)[rac]
  Mrv1652303052006322D          

 59 58  0  0  1  0            999 V2000
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M  END
> <DATABASE_ID>
BMDB0074322

> <DATABASE_NAME>
bmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C52H100O6/c1-6-8-9-10-25-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-24-23-27-31-36-41-48(5)7-2)46-57-51(54)43-38-33-28-22-20-18-16-14-12-11-13-15-17-19-21-26-30-35-40-47(3)4/h47-49H,6-46H2,1-5H3/t48?,49-/m1/s1

> <INCHI_KEY>
GKJXGQCJFPBTLC-LGJKLLRXSA-N

> <FORMULA>
C52H100O6

> <MOLECULAR_WEIGHT>
821.366

> <EXACT_MASS>
820.75199094

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
158

> <JCHEM_AVERAGE_POLARIZABILITY>
110.85755052018797

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-3-(decanoyloxy)-2-[(12-methyltetradecanoyl)oxy]propyl 22-methyltricosanoate

> <ALOGPS_LOGP>
10.47

> <JCHEM_LOGP>
19.053617212

> <ALOGPS_LOGS>
-7.89

> <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>
245.78650000000007

> <JCHEM_ROTATABLE_BOND_COUNT>
49

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.05e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-(decanoyloxy)-2-[(12-methyltetradecanoyl)oxy]propyl 22-methyltricosanoate

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0074322

> <GENERIC_NAME>
TG(i-24:0/a-15:0/10:0)[rac]

$$$$