TL;DR: lipedoside A (CAS 110326-99-3) is a chemical compound with molecular formula C29H36O14 and molecular weight 608.2105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: lipedoside A, Lipedoside A I, LIGUPURPUROSIDE C, Isosyringalide 3'-alpha-L-rhamnopyranoside, [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
| Molecular Formula | C29H36O14 |
| Molecular Weight | 608.2105 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 608.2105 Da |
| Heavy Atoms | 43 |
| Complexity | 927.0 |
| SMILES | CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC=C(C=C2)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC(=C(C=C4)O)O)O |
| InChIKey | IAWTWHSGLMCXSV-ATYIUYMASA-N |
The XLogP value of -0.5 indicates that lipedoside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting lipedoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, lipedoside A has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of lipedoside A is 110326-99-3.
The molecular formula of lipedoside A is C29H36O14.
The molecular weight of lipedoside A is 608.2105 g/mol.
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