TL;DR: Chemical Compound (C58H83NO18) (CAS 118498-93-4) is a chemical compound with molecular formula C58H83NO18 and molecular weight 1081.561 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[5-[8-[[2-[2,4-dihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-3-(2-phenylacetyl)oxyoxan-2-yl]-3-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxypropanoyl]amino]-3-methoxy-4-methylocta-4,6-dien-2-yl]-3-hydroxyoxolan-2-yl]hepta-2,4,6-trienoic acid
| Molecular Formula | C58H83NO18 |
| Molecular Weight | 1081.561 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 257.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1081.561 Da |
| Heavy Atoms | 77 |
| Complexity | 2080.0 |
| SMILES | CC=CC=CC1C(C(C(C(O1)(C(COC2CC(C(C(O2)C)OC3CC(C(C(O3)C)O)OC)OC)C(=O)NCC=CC=C(C)C(C(C)C4CC(C(O4)C=CC=CC=CC(=O)O)O)OC)O)OC(=O)CC5=CC=CC=C5)O)(C)C |
| InChIKey | CFQHTKGGWFGEKG-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that Chemical Compound (C58H83NO18) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 257.0 Ų indicates high polarity, suggesting Chemical Compound (C58H83NO18) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chemical Compound (C58H83NO18) has 6 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Chemical Compound (C58H83NO18) is 118498-93-4.
The molecular formula of Chemical Compound (C58H83NO18) is C58H83NO18.
The molecular weight of Chemical Compound (C58H83NO18) is 1081.561 g/mol.
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