Steffimycin B
2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Also Known As: Steffimycin B|U 40615|NCI60_001720|2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione|NSC 204855, Steffimycin B, U 40615|(2S,3S,4R)-2,5,7-Trihydroxy-4-[(2S,3R,4R,5R,6S)-4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione|1,6,11(2H)-Naphthacenetrione, 4-((6-deoxy-2,4-di-O-methyl-alpha-L-mannopyranosyl)oxy)-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-|1,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2,4-di-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-|1,6,11(2H)-Naphthacenetrione, 4-[(6-deoxy-2,4-di-O-methyl-.alpha.-L-mannopyranosyl)oxy]-3,4-dihydro-2,5,7-trihydroxy-3,9-dimethoxy-2-methyl-|3,10,12-trihydroxy-2,8-dimethoxy-3-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 6-deoxy-2,4-di-O-methylhexopyranoside
| Molecular Formula | C29H32O13 |
|---|---|
| Molecular Weight | 588.18427 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 187.51 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 588.18427 |
| Heavy Atoms | 42 |
| Complexity | 1464.2 |
Chemical Identifiers
| CAS Number | 54526-94-2 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)OC |
Product Overview
Steffimycin B (CAS 54526-94-2), with molecular formula C29H32O13 and molecular weight 588.18427 g/mol. IUPAC: 2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione.
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