Mrv1652303302020522D          

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M  END
> <DATABASE_ID>
CDB001817

> <DATABASE_NAME>
CDB

> <SMILES>
CCCCCC\C=C/CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC\C=C/CCCCCC)COC(=O)CCCCCCCCC\C=C/CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h19-24,56H,4-18,25-55H2,1-3H3/b22-19-,23-20-,24-21-

> <INCHI_KEY>
GVYCKTCJKPZYLK-BUTYCLJRSA-N

> <FORMULA>
C59H108O6

> <MOLECULAR_WEIGHT>
913.507

> <EXACT_MASS>
912.814591198

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
173

> <JCHEM_AVERAGE_POLARIZABILITY>
121.26819045853594

> <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 (13Z)-icos-13-enoate

> <ALOGPS_LOGP>
10.77

> <JCHEM_LOGP>
21.394932034333337

> <ALOGPS_LOGS>
-8.18

> <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>
281.4481

> <JCHEM_ROTATABLE_BOND_COUNT>
55

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.06e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3-bis[(11Z)-octadec-11-enoyloxy]propan-2-yl (13Z)-icos-13-enoate

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB001817

> <GENERIC_NAME>
TG(18:1(11Z)/20:1(13Z)/18:1(11Z))

$$$$