Asparanin C
2-[[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Also Known As: Asparanin C|Spirostan-3-yl 6-deoxyhexopyranosyl-(1->6)-[pentopyranosyl-(1->4)]hexopyranoside|beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-alpha-L-arabinopyranosyl-(1->4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1->6))-|beta-D-Glucopyranoside, (3beta,5beta,25S)-spirostan-3-ylO-alpha-L-arabinopyranosyl-(1-4)-O-(6-deoxy-alpha-L-mannopyranosyl-(1-6))-
| Molecular Formula | C44H72O16 |
|---|---|
| Molecular Weight | 856.48206 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 856.48206 |
| Monoisotopic Mass | 856.48206 |
| Heavy Atoms | 60 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 83997-41-5 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)COC8C(C(C(C(O8)C)O)O)O)OC9C(C(C(CO9)O)O)O)O)O)C)C)C)OC1 |
| InChIKey | QLZSPAKBIBSDEQ-UHFFFAOYSA-N |
Product Overview
Asparanin C (CAS 83997-41-5), with molecular formula C44H72O16 and molecular weight 856.48206 g/mol. IUPAC: 2-[[4,5-dihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxy-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol.