TL;DR: Tyledoside B (CAS 102694-25-7) is a chemical compound with molecular formula C31H40O10 and molecular weight 572.26215 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]hexacosan-26-one
Also Known As: Tyledoside B, 3a,15-dihydroxy-12-methoxy-10,14a,16a-trimethyl-1-(2-oxo-2h-pyran-5-yl)octadecahydro-10h-8,12-methanocyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-d][1,3,6]trioxonin-17-one, 3a,15-Dihydroxy-12-methoxy-10,14a,16a-trimethyl-1-(2-oxo-2H-pyran-5-yl)octadecahydro-8H,10H-8,12-methanocyclopenta[7,8]oxireno[8a,9]phenanthro[2,3-d][1,3,6]trioxonin-17-one, 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]hexacosan-26-one
| Molecular Formula | C31H40O10 |
| Molecular Weight | 572.26215 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 572.26215 Da |
| Heavy Atoms | 41 |
| Complexity | 1260.0 |
| SMILES | CC1CC2(C(=O)C(O1)OC3CC4CC5C6(O5)C(C4(CC3O2)C)C(CC7(C6(CCC7C8=COC(=O)C=C8)O)C)O)OC |
| InChIKey | BNZXFSHEOMCLJC-UHFFFAOYSA-N |
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tyledoside B. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tyledoside B. Following Lipinski's Rule of Five, Tyledoside B has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tyledoside B is 102694-25-7.
The molecular formula of Tyledoside B is C31H40O10.
The molecular weight of Tyledoside B is 572.26215 g/mol.
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