Mrv1652303302020472D          

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M  END
> <DATABASE_ID>
CDB001744

> <DATABASE_NAME>
CDB

> <SMILES>
[H]\C(CCCCCC)=C(/[H])CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC)OC(=O)CCCCCCCCC\C([H])=C(\[H])CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h19-24,54H,4-18,25-53H2,1-3H3/b22-19-,23-20-,24-21-

> <INCHI_KEY>
JSSROPRCXOAGCW-BUTYCLJRSA-N

> <FORMULA>
C57H104O6

> <MOLECULAR_WEIGHT>
885.4321

> <EXACT_MASS>
884.78329106

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
167

> <JCHEM_AVERAGE_POLARIZABILITY>
117.32628265619776

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate

> <ALOGPS_LOGP>
10.80

> <JCHEM_LOGP>
20.505794704333333

> <ALOGPS_LOGS>
-8.13

> <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>
272.24609999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
53

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.54e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-octadec-11-enoate

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB001744

> <GENERIC_NAME>
TG(18:1(11Z)/18:1(11Z)/18:1(11Z))

$$$$