TL;DR: Thesioideoside (CAS 145937-28-6) is a chemical compound with molecular formula C28H32O17 and molecular weight 640.16394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Also Known As: Thesioideoside, 3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 3-((2-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-, 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-3-yl 2-O-beta-D-glucopyranosyl-beta-D-galactopyranoside
| Molecular Formula | C28H32O17 |
| Molecular Weight | 640.16394 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 275.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 640.16394 Da |
| Heavy Atoms | 45 |
| Complexity | 1060.0 |
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
| InChIKey | QWTDVAZCZORTDT-QBUVXBDPSA-N |
The XLogP value of -0.9 indicates that Thesioideoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 275.0 Ų indicates high polarity, suggesting Thesioideoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thesioideoside has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thesioideoside is 145937-28-6.
The molecular formula of Thesioideoside is C28H32O17.
The molecular weight of Thesioideoside is 640.16394 g/mol.
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