HuagongsheHuagongshe Chemistry Print Report · For research reference only
Chloroorienticin C
chloroorienticin C · Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-arabino-hexopyranosyl)-44-O-de[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-α-L-lyxo-hexopyranosyl)-β-D-glucopyranosyl]-
Identifiers & Physical Properties
| CAS No. | 118373-82-3 |
|---|---|
| Molecular formula | C60H65Cl2N9O19 |
| Average molar mass | 1,287.1 g/mol |
| Monoisotopic mass | 1,285.3773763 g/mol |
| SMILES | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |
| InChIKey | CHSINQSLUWRGER-UHFFFAOYSA-N |
| PubChem CID | 3082913 |
Chemical & Physical Properties
| XLogP | -0.8 |
|---|---|
| Topological polar surface area | 451 |
| Hydrogen bond donors | 16 |
| Hydrogen bond acceptors | 21 |
| Rotatable bonds | 10 |
| Heavy atoms | 90 |
| Formal charge | 0 |
| Complexity | 2,620 |