TL;DR: Germerine (CAS 63951-45-1) is a chemical compound with molecular formula C37H59NO11 and molecular weight 693.4088 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(6S,9S,10S,12R,14S,16R,19S,22S,23S,25R)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-22-(2-methylbutanoyloxy)-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] 2-hydroxy-2-methylbutanoate
Also Known As: Germerine, Veratensine, Germerin, O-Deacetylgerminaline, Germerin [German]
| Molecular Formula | C37H59NO11 |
| Molecular Weight | 693.4088 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 186.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 693.4088 Da |
| Heavy Atoms | 49 |
| Complexity | 1370.0 |
| SMILES | CCC(C)C(=O)O[C@H]1CC[C@]2(C3[C@@]1(O[C@@]24CC5C6CN7C[C@H](CC[C@H]7[C@@](C6[C@H](C([C@]5(C4[C@@H](C3)O)O)OC(=O)C(C)(CC)O)O)(C)O)C)O)C |
| InChIKey | SGYGAUUUPXBOSA-PTSVTHRZSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Germerine. The TPSA of 186.0 Ų indicates high polarity, suggesting Germerine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Germerine has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Germerine is 63951-45-1.
The molecular formula of Germerine is C37H59NO11.
The molecular weight of Germerine is 693.4088 g/mol.
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