TL;DR: Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside (CAS 117611-67-3) is a chemical compound with molecular formula C27H30O16 and molecular weight 610.1534 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,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Also Known As: q-Rha-gal, Quercetin-Rha-Gal, Isobioquercetin, quercetin 3-O-neohesperidoside, Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside
| Molecular Formula | C27H30O16 |
| Molecular Weight | 610.1534 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 266.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 610.1534 Da |
| Heavy Atoms | 43 |
| Complexity | 1020.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)CO)O)O)O)O)O |
| InChIKey | FYBMGZSDYDNBFX-KLUVJTJFSA-N |
The XLogP value of -0.7 indicates that Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 266.0 Ų indicates high polarity, suggesting Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside has 10 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside is 117611-67-3.
The molecular formula of Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside is C27H30O16.
The molecular weight of Quercetin 3-O-alpha-rhamnopyranosyl-(1-2)-beta-galactopyranoside is 610.1534 g/mol.
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