TL;DR: Christyoside (CAS 101470-86-4) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.2985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5S,10R,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Christyoside, Christyosid, Christyosid [German], Corotoxigenin-beta-D-digitalosid, Corotoxigenin-beta-D-digitalosid [German]
| Molecular Formula | C30H44O9 |
| Molecular Weight | 548.2985 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.2985 Da |
| Heavy Atoms | 39 |
| Complexity | 1010.0 |
| SMILES | CC1[C@@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2)CCC4C3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O |
| InChIKey | PMTSPAGBAFCORP-SQAZWHIYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Christyoside. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Christyoside. Following Lipinski's Rule of Five, Christyoside has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Christyoside is 101470-86-4.
The molecular formula of Christyoside is C30H44O9.
The molecular weight of Christyoside is 548.2985 g/mol.
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