TL;DR: Phlinoside B (CAS 131903-54-3) is a chemical compound with molecular formula C34H44O19 and molecular weight 756.2477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Phlinoside B, [(2R,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate, (E)-2-(3,4-Dihydroxyphenyl)ethyl O-beta-D-xylopyranosyl-(1-2)-O-6-deoxy-alpha-L-mannopyranosyl-(1-3)-beta-D-glucopyranoside 4-(3-(3,4-dihydroxyphenyl)-2-propenoate), 3,4-dihydroxy-beta phenylethoxy-O-beta-xylopyranosyl-(1-2)-alpha-rhamnopyranosyl-(1-3)-4-O-caffeoyl-beta-glucopyranoside, 3,4-Dihydroxy-beta-phenylethoxy-O-beta-xylopyranosyl-(1-2)-alpha-rhamnopyranosyl-(1-3)-4-O-caffeoyl-beta-glucopyranoside
| Molecular Formula | C34H44O19 |
| Molecular Weight | 756.2477 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 304.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Exact Mass | 756.2477 Da |
| Heavy Atoms | 53 |
| Complexity | 1180.0 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O)O |
| InChIKey | UDHCHDJLZGYDDM-UVQMCPPLSA-N |
The XLogP value of -2.0 indicates that Phlinoside B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting Phlinoside B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phlinoside B has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phlinoside B is 131903-54-3.
The molecular formula of Phlinoside B is C34H44O19.
The molecular weight of Phlinoside B is 756.2477 g/mol.
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