1,2-dieicosanoyl-3-docosanoyl-sn-glycerol TG(20:0/20:0/22:0)
  Mrv1652303302021302D          

 72 71  0  0  1  0            999 V2000
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    8.1499   -8.1446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5462   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5462   -5.8512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.1179   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4038   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6897   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8331   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.5483   -6.6227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4058   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5493   -7.0358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
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M  END
> <DATABASE_ID>
CDB002359

> <DATABASE_NAME>
CDB

> <SMILES>
[H][C@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C65H126O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h62H,4-61H2,1-3H3/t62-/m0/s1

> <INCHI_KEY>
RZBGTDVLCODSBN-PNVGIOEQSA-N

> <FORMULA>
C65H126O6

> <MOLECULAR_WEIGHT>
1003.717

> <EXACT_MASS>
1002.955441777

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
197

> <JCHEM_AVERAGE_POLARIZABILITY>
139.3070170705147

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2,3-bis(icosanoyloxy)propyl docosanoate

> <ALOGPS_LOGP>
10.65

> <JCHEM_LOGP>
25.148108994333334

> <ALOGPS_LOGS>
-7.94

> <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>
305.7043

> <JCHEM_ROTATABLE_BOND_COUNT>
64

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2,3-bis(icosanoyloxy)propyl docosanoate

> <JCHEM_VEBER_RULE>
0

> <Cannabis Database ID>
CDB002359

> <GENERIC_NAME>
TG(20:0/20:0/22:0)

$$$$