TL;DR: Complanatuside (CAS 146501-37-3) is a chemical compound with molecular formula C28H32O16 and molecular weight 624.169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
Also Known As: Complanatuside, Complanatoside A, Complanatoside, Complanatuside A, complanaruside
| Molecular Formula | C28H32O16 |
| Molecular Weight | 624.169 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 255.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 624.169 Da |
| Heavy Atoms | 44 |
| Complexity | 1020.0 |
| SMILES | COC1=CC(=C2C(=C1)OC(=C(C2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O |
| InChIKey | KKPKUPKKMALLKG-QDYVESOYSA-N |
The XLogP value of -0.8 indicates that Complanatuside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 255.0 Ų indicates high polarity, suggesting Complanatuside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Complanatuside has 9 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Complanatuside is 146501-37-3.
The molecular formula of Complanatuside is C28H32O16.
The molecular weight of Complanatuside is 624.169 g/mol.
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