Antialloside
3-[5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
Also Known As: Antialloside|Antiogoside|3-[5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C29H44O10 |
|---|---|
| Molecular Weight | 552.29346 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 552.29346 |
| Monoisotopic Mass | 552.29346 |
| Heavy Atoms | 39 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 3981-17-7 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C4CC(C5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)O)C)O)O)O |
| InChIKey | VRDSLDHRGHMDAC-UHFFFAOYSA-N |
Product Overview
Antialloside (CAS 3981-17-7), with molecular formula C29H44O10 and molecular weight 552.29346 g/mol. IUPAC: 3-[5,12,14-trihydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
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