Glycerol 1,2-dioctacosanoate
PubChem CID: 19421331
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| Compound Synonyms | Glycerol 1,2-dioctacosanoate, DG 28:0_28:0, Glycerol dimontanate, a,b-Dimontanylglycerol, 1,2-Di-O-octacosanoylglycerol, SCHEMBL11979363, YFICNBBIYKTBLK-UHFFFAOYSA-N, DTXSID601198569, 52363-45-8, Octacosanoic acid 1-(hydroxymethyl)-1,2-ethanediyl ester, Octacosanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Diacylglycerols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)))))))))))))))))))))))))))))CO |
| Heavy Atom Count | 64.0 |
| Classyfire Class | Glycerolipids |
| Description | Constituent of Morus alba root (white mulberry) bark. Glycerol 1,2-dioctacosanoate is found in fruits. |
| Classyfire Subclass | Diradylglycerols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 891.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3-hydroxy-2-octacosanoyloxypropyl) octacosanoate |
| Class | Glycerolipids |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 27.0 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Diradylglycerols |
| Gsk 4 400 Rule | False |
| Molecular Formula | C59H116O5 |
| Inchi Key | YFICNBBIYKTBLK-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 58.0 |
| State | Solid |
| Synonyms | 1,2-Di-O-octacosanoylglycerol, a,b-Dimontanylglycerol, Octacosanoic acid 1-(hydroxymethyl)-1,2-ethanediyl ester, Glycerol 1,2-dioctacosanoic acid, 1-Hydroxy-3-(octacosanoyloxy)propan-2-yl octacosanoic acid, glycerol 1,2-dioctacosanoate |
| Esol Class | Insoluble |
| Functional Groups | CO, COC(C)=O |
| Compound Name | Glycerol 1,2-dioctacosanoate |
| Kingdom | Organic compounds |
| Exact Mass | 904.882 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 904.882 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 905.5 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C59H116O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-58(61)63-56-57(55-60)64-59(62)54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h57,60H,3-56H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | 1,2-diacylglycerols |
| Np Classifier Superclass | Glycerolipids |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729