TL;DR: Maquiroside A (CAS 120200-04-6) is a chemical compound with molecular formula C30H46O8 and molecular weight 534.3193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Maquiroside A, 3-[(2,6-dideoxy-3-o-methylhexopyranosyl)oxy]-14,19-dihydroxycard-20(22)-enolide, 3-[14-hydroxy-3-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10-(hydroxymethyl)-13-methyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C30H46O8 |
| Molecular Weight | 534.3193 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 534.3193 Da |
| Heavy Atoms | 38 |
| Complexity | 953.0 |
| SMILES | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)CO)OC)O |
| InChIKey | FXZKDRVSINFUOY-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Maquiroside A. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Maquiroside A. Following Lipinski's Rule of Five, Maquiroside A has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Maquiroside A is 120200-04-6.
The molecular formula of Maquiroside A is C30H46O8.
The molecular weight of Maquiroside A is 534.3193 g/mol.
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