Oleoyldilinoleoylglycerol
PubChem CID: 129650669
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| Compound Synonyms | oleoyldilinoleoylglycerol |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 63.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1210.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6Z,9Z,30Z,33Z)-19,20,21-trihydroxy-19-[(Z)-octadec-9-enoyl]nonatriaconta-6,9,30,33-tetraene-18,22-dione |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Xlogp | 18.6 |
| Is Pains | False |
| Molecular Formula | C57H100O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PZJYDFWHMXMZNJ-GGDOOUPISA-N |
| Fcsp3 | 0.7719298245614035 |
| Rotatable Bond Count | 48.0 |
| Compound Name | Oleoyldilinoleoylglycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 880.752 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 880.752 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 881.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 5.0 |
| Esol | -13.861110199999999 |
| Inchi | InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(58)55(61)56(62)57(63,53(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h16-17,19-20,25-30,55-56,61-63H,4-15,18,21-24,31-51H2,1-3H3/b19-16-,20-17-,28-25-,29-26-,30-27- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)C(C(C(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)O)O)(C(=O)CCCCCCC/C=C\C/C=C\CCCCC)O |
| Defined Bond Stereocenter Count | 5.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Armeniaca (Plant) Rel Props:Source_db:cmaup_ingredients