TL;DR: Convalloside (CAS 13473-51-3) is a chemical compound with molecular formula C35H52O15 and molecular weight 712.3306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,5S,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde
Also Known As: Convalloside, Bogoroside, Convallosid, Convallosid [German], KST-1A1182
| Molecular Formula | C35H52O15 |
| Molecular Weight | 712.3306 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 712.3306 Da |
| Heavy Atoms | 50 |
| Complexity | 1340.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| InChIKey | CAYUJEAJKPLCAV-TZOZDROWSA-N |
The XLogP value of -2.3 indicates that Convalloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 242.0 Ų indicates high polarity, suggesting Convalloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Convalloside has 8 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Convalloside is 13473-51-3.
The molecular formula of Convalloside is C35H52O15.
The molecular weight of Convalloside is 712.3306 g/mol.
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