TL;DR: Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside (CAS 134953-94-9) is a chemical compound with molecular formula C33H40O20 and molecular weight 756.2113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,7-dihydroxy-3-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)chromen-4-one
Also Known As: k-Glu-rha-gal, Kaempferol-3-Glu-Rha-Gal, Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside, 5,7-dihydroxy-3-[(2R,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 3-((O-beta-D-glucopyranosyl-(1-3)-O-6-deoxy-alpha-L-mannopyranosyl-(1-6)-beta-D-galactopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
| Molecular Formula | C33H40O20 |
| Molecular Weight | 756.2113 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 324.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 9 |
| Exact Mass | 756.2113 Da |
| Heavy Atoms | 53 |
| Complexity | 1280.0 |
| 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)CO)O)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O |
| InChIKey | ZOSYTGZBPSTVGJ-HHYFVRIJSA-N |
The XLogP value of -2.0 indicates that Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 324.0 Ų indicates high polarity, suggesting Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside has 12 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside is 134953-94-9.
The molecular formula of Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside is C33H40O20.
The molecular weight of Kaempferol 3-glucosyl(1-3)rhamnosyl(1-6)galactoside is 756.2113 g/mol.
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