TL;DR: Tyledoside D (CAS 102694-26-8) is a chemical compound with molecular formula C31H40O11 and molecular weight 588.2571 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,13,26-trihydroxy-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]hexacosan-8-one
Also Known As: Tyledoside D, 7,13,26-Trihydroxy-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]hexacosan-8-one, 3a,15,17-trihydroxy-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]trioxonin-16(1h)-one, 3a,15,17-Trihydroxy-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]trioxonin-16(1H)-one
| Molecular Formula | C31H40O11 |
| Molecular Weight | 588.2571 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 588.2571 Da |
| Heavy Atoms | 42 |
| Complexity | 1300.0 |
| SMILES | CC1CC2(C(C(O1)OC3CC4CC5C6(O5)C(C4(CC3O2)C)C(C(=O)C7(C6(CCC7C8=COC(=O)C=C8)O)C)O)O)OC |
| InChIKey | BKVAXXAKDQXAAJ-UHFFFAOYSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tyledoside D. The TPSA of 154.0 Ų indicates high polarity, suggesting Tyledoside D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tyledoside D has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tyledoside D is 102694-26-8.
The molecular formula of Tyledoside D is C31H40O11.
The molecular weight of Tyledoside D is 588.2571 g/mol.
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