TL;DR: Rhapontigenin, 3-beta-D-glucopyranoside (CAS 1581-24-4) is a chemical compound with molecular formula C21H24O9 and molecular weight 420.14203 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: rhapontin, Rhaponticin, Rhaponticine, Ponticin, Rhapontin [M+H]+
| Molecular Formula | C21H24O9 |
| Molecular Weight | 420.14203 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.14203 Da |
| Heavy Atoms | 30 |
| Complexity | 559.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O |
| InChIKey | GKAJCVFOJGXVIA-NSCUHMNNSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rhapontigenin, 3-beta-D-glucopyranoside. The TPSA of 149.0 Ų indicates high polarity, suggesting Rhapontigenin, 3-beta-D-glucopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rhapontigenin, 3-beta-D-glucopyranoside has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Rhapontigenin, 3-beta-D-glucopyranoside is 1581-24-4.
The molecular formula of Rhapontigenin, 3-beta-D-glucopyranoside is C21H24O9.
The molecular weight of Rhapontigenin, 3-beta-D-glucopyranoside is 420.14203 g/mol.
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