TL;DR: Ambonin (CAS 108044-04-8) is a chemical compound with molecular formula C26H28O13 and molecular weight 548.153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one
Also Known As: Ambonin, (-)-Ambonin, 7-[6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-(4-hydroxyphenyl)chromen-4-one, 4H-1-Benzopyran-4-one, 7-((6-O-D-apio-beta-D-furanosyl-beta-D-lucopyranosyl)oxy)-3-(4-hydroxyphenyl)-, 3-(4-Hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]hexopyranoside
| Molecular Formula | C26H28O13 |
| Molecular Weight | 548.153 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.153 Da |
| Heavy Atoms | 39 |
| Complexity | 891.0 |
| SMILES | C1C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC=C(C=C5)O)O)O)O)O)(CO)O |
| InChIKey | VXFVOLUPWBOJSY-UHFFFAOYSA-N |
The XLogP value of -1.1 indicates that Ambonin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Ambonin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ambonin has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ambonin is 108044-04-8.
The molecular formula of Ambonin is C26H28O13.
The molecular weight of Ambonin is 548.153 g/mol.
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