TL;DR: Tyledoside A (CAS 102694-24-6) is a chemical compound with molecular formula C31H38O11 and molecular weight 586.2414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,13-dihydroxy-1-methoxy-5,9,24-trimethyl-10-(6-oxopyran-3-yl)-2,15,21,23-tetraoxaheptacyclo[20.3.1.03,20.05,18.06,14.09,13.014,16]hexacosane-8,26-dione
Also Known As: Tyledoside A, 3a,15-dihydroxy-12-methoxy-10,14a,16a-trimethyl-1-(2-oxo-2h-pyran-5-yl)hexadecahydro-10h-8,12-methanocyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-d][1,3,6]trioxonine-16,17(1h)-dione, 3a,15-Dihydroxy-12-methoxy-10,14a,16a-trimethyl-1-(2-oxo-2H-pyran-5-yl)hexadecahydro-8H,10H-8,12-methanocyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-d][1,3,6]trioxonine-16,17(1H)-dione, 7,13-Dihydroxy-1-methoxy-5,9,24-trimethyl-10-(6-oxopyran-3-yl)-2,15,21,23-tetraoxaheptacyclo[20.3.1.03,20.05,18.06,14.09,13.014,16]hexacosane-8,26-dione
| Molecular Formula | C31H38O11 |
| Molecular Weight | 586.2414 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 586.2414 Da |
| Heavy Atoms | 42 |
| Complexity | 1340.0 |
| SMILES | CC1CC2(C(=O)C(O1)OC3CC4CC5C6(O5)C(C4(CC3O2)C)C(C(=O)C7(C6(CCC7C8=COC(=O)C=C8)O)C)O)OC |
| InChIKey | MXRLUFXOKLNUPM-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tyledoside A. The TPSA of 150.0 Ų indicates high polarity, suggesting Tyledoside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyledoside A has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tyledoside A is 102694-24-6.
The molecular formula of Tyledoside A is C31H38O11.
The molecular weight of Tyledoside A is 586.2414 g/mol.
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