TL;DR: Desaroside (CAS 101418-20-6) 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.
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Desaroside, 4-18-00-02546 (Beilstein Handbook Reference), 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methylgalactopyranosyl)oxy)-14-hydroxy-11-oxo-, 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-[(6-Deoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxy-11-oxocard-20(22)-enolide
| 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 | 4 |
| Exact Mass | 548.2985 Da |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
| SMILES | CC1[C@@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3C(=O)C[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O |
| InChIKey | OFHFAWOWNDPPEH-ACXZCSKNSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desaroside. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Desaroside. Following Lipinski's Rule of Five, Desaroside has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Desaroside is 101418-20-6.
The molecular formula of Desaroside is C30H44O9.
The molecular weight of Desaroside is 548.2985 g/mol.
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