Desaroside
3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
| Molecular Formula | C30H44O9 |
|---|---|
| Molecular Weight | 548.7 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 132.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 548.2985 |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 101418-20-6 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(=O)CC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O |
| InChIKey | OFHFAWOWNDPPEH-ACXZCSKNSA-N |
📖 Product Overview
Desaroside (CAS: 101418-20-6) is a chemical compound with molecular formula C30H44O9 and molecular weight 548.7 g/mol. Its IUPAC systematic name is 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one.
OFHFAWOWNDPPEH-ACXZCSKNSA-N.
SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(=O)CC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O.
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