TL;DR: Tiqueside (CAS 6625-10-1) is a chemical compound with molecular formula C39H64O13 and molecular weight 740.4347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5S,6R)-2-[(2R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Tiqueside, beta-tigogenin cellobioside, KST-1A0260, (5, A,25r)-spirostan-3-yl(4xi)-4-o-
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C39H64O13 |
| Molecular Weight | 740.4347 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 197.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 740.4347 Da |
| Heavy Atoms | 52 |
| Complexity | 1270.0 |
| SMILES | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H](C([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | GUSVHVVOABZHAH-SFMGTQEISA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tiqueside. The TPSA of 197.0 Ų indicates high polarity, suggesting Tiqueside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tiqueside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tiqueside is 6625-10-1.
The molecular formula of Tiqueside is C39H64O13.
The molecular weight of Tiqueside is 740.4347 g/mol.
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