1-Oleoyl-3-linoleoyl-rac-glycerol
PubChem CID: 44584139
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| Compound Synonyms | 1-Oleoyl-3-linoleoyl-rac-glycerol, 104346-53-4, CHEMBL505746, DB-251519, 2-Hydroxy-3-[(9Z)-9-octadecenoyloxy]propyl (9E,12Z)-9,12-octadecadienoate |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 44.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 711.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [2-hydroxy-3-[(9E,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 13.7 |
| Molecular Formula | C39H70O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GREDRAMJRDQWEJ-DEDKAWTBSA-N |
| Fcsp3 | 0.7948717948717948 |
| Logs | -2.399 |
| Rotatable Bond Count | 35.0 |
| Logd | 6.16 |
| Compound Name | 1-Oleoyl-3-linoleoyl-rac-glycerol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 618.522 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 618.522 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 619.0 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -9.973500800000002 |
| Inchi | InChI=1S/C39H70O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,37,40H,3-10,12,14-16,21-36H2,1-2H3/b13-11-,19-17+,20-18- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/C/C=C\CCCCC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 3.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hyoscyamus Niger (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all