Mrv1652303302020062D          

 64 63  0  0  1  0            999 V2000
    3.7176   -2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0835   -3.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8091   -7.7037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9983   -8.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8216   -8.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.3354  -14.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8905  -16.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7138  -16.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0797  -17.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6223  -17.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9882  -18.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8116  -18.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1775  -19.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0008  -19.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3667  -20.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1900  -20.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5559  -21.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3792  -21.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251  -11.8233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0484  -11.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4143  -12.6155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5058  -11.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3291  -11.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.0672   -9.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.1837   -3.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  9  8  1  4  0  0  0
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 62 63  1  0  0  0  0
 22 64  1  6  0  0  0
M  END
> <DATABASE_ID>
CDB001148

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@@](COC(=O)CCCCCCCC=CCC=CCCCCC)(COC(=O)CCCCC=CCC=CCC=CCCCCC)OC(=O)CCCCCCCC=CCC=CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C57H96O6/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/h16-21,25-30,34,37,54H,4-15,22-24,31-33,35-36,38-53H2,1-3H3/t54-/m0/s1

> <INCHI_KEY>
GBDGUGNAHCFRDF-XSMLMOGHSA-N

> <FORMULA>
C57H96O6

> <MOLECULAR_WEIGHT>
877.3685

> <EXACT_MASS>
876.720690804

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
159

> <JCHEM_AVERAGE_POLARIZABILITY>
113.65078244691014

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propyl octadeca-6,9,12-trienoate

> <ALOGPS_LOGP>
10.52

> <JCHEM_LOGP>
19.058108077666667

> <ALOGPS_LOGS>
-8.21

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.565868619786564

> <JCHEM_POLAR_SURFACE_AREA>
78.9

> <JCHEM_REFRACTIVITY>
276.7125

> <JCHEM_ROTATABLE_BOND_COUNT>
49

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.44e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2,3-bis(octadeca-9,12-dienoyloxy)propyl octadeca-6,9,12-trienoate

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB001148

> <GENERIC_NAME>
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3]

$$$$