TL;DR: rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside (CAS 119725-29-0) is a chemical compound with molecular formula C29H32O16 and molecular weight 636.169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]pentanoic acid
Also Known As: Viscumneoside IV, J3.012.495B, Rhamnazin-3-O-(6''-hydroxymethylglutaryl)glucoside, 3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxochromen-3-yl]oxyoxan-2-yl]methoxy]pentanoic acid, rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside
| Molecular Formula | C29H32O16 |
| Molecular Weight | 636.169 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 248.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 12 |
| Exact Mass | 636.169 Da |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
| SMILES | CC(CC(=O)O)(CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)OC)C4=CC(=C(C=C4)O)OC)O)O)O)O |
| InChIKey | ZPMHWGODKDJELN-IFZGUCFQSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside. The TPSA of 248.0 Ų indicates high polarity, suggesting rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside is 119725-29-0.
The molecular formula of rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside is C29H32O16.
The molecular weight of rhamnazin-3-O-beta-D-(6''-beta-hydroxy-beta-methyglutaryl)-glucoside is 636.169 g/mol.
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