Aquayamycin
(3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
| Molecular Formula | C25H26O10 |
|---|---|
| Molecular Weight | 486.5 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 182.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 486.1526 |
| Heavy Atoms | 35 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 26055-63-0 |
|---|---|
| SMILES | CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)(C)O)O)O)O)O)O |
| InChIKey | KCOULPRVOZDQEL-IFNZWHIZSA-N |
📖 Product Overview
Aquayamycin (CAS: 26055-63-0) is a chemical compound with molecular formula C25H26O10 and molecular weight 486.5 g/mol. Its IUPAC systematic name is (3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione.
KCOULPRVOZDQEL-IFNZWHIZSA-N.
SMILES: CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)(C)O)O)O)O)O)O.
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