TL;DR: Annoglaucin (CAS 164991-79-1) is a chemical compound with molecular formula C37H66O8 and molecular weight 638.47577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-[2,8,13-trihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one
Also Known As: annoglaucin, NCI60_034163, 2-methyl-4-[2,8,13-trihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one, 5-methyl-3-(2,8,13-trihydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-2,5-dihydrofuran-2-one, 5-methyl-3-[2,8,13-trihydroxy-13-[5-[5-(1-hydroxyundecyl)tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]tridecyl]-5h-furan-2-one
| Molecular Formula | C37H66O8 |
| Molecular Weight | 638.47577 g/mol |
| XLogP | 7.8 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 25 |
| Exact Mass | 638.47577 Da |
| Heavy Atoms | 45 |
| Complexity | 833.0 |
| SMILES | CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCC(CCCCCC(CC3=CC(OC3=O)C)O)O)O)O |
| InChIKey | QFFLFGFTHVFFDL-UHFFFAOYSA-N |
The XLogP value of 7.8 indicates that Annoglaucin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Annoglaucin. Following Lipinski's Rule of Five, Annoglaucin has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Annoglaucin is 164991-79-1.
The molecular formula of Annoglaucin is C37H66O8.
The molecular weight of Annoglaucin is 638.47577 g/mol.
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