Saquayamycin
Basic information
- CAS
99260-65-8- Standard SMILES
CC1OC(OC2CCC(OC3(C)CC(=O)C4(O)C5=C(C=CC4(O)C3)C(=O)c3c(ccc(C4CC(O)C(OC6C=CC(=O)C(C)O6)C(C)O4)c3O)C5=O)OC2C)C=CC1=O- InChIKey
PSCPFFPJZFSAMI-UHFFFAOYSA-N- Molecular formula
- C43H48O16
- Average molar mass
- 820.8 g/mol
- Monoisotopic mass
- 820.29423544
Overview
Saquayamycin has been reported in Streptomyces nodosus with data available.
Names & identifiers
- Preferred name
- Saquayamycin
- IUPAC
- 4a,8,12b-trihydroxy-9-[4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
- English name
- saquayamycin
- Molecular formula
- C43H48O16
- Molecular weight
- 820.84
Names & synonyms
Saquayamycin99260-65-84a,8,12b-trihydroxy-9-[4-hydroxy-6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]-3-methyl-3-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxy-2,4-dihydrobenzo[a]anthracene-1,7,12-trione4a,8,12b-trihydroxy-9-(4-hydroxy-6-methyl-5-((6-methyl-5-oxo-2H-pyran-2-yl)oxy)oxan-2-yl)-3-methyl-3-(6-methyl-5-((6-methyl-5-oxo-2H-pyran-2-yl)oxy)oxan-2-yl)oxy-2,4-dihydrobenzo(a)anthracene-1,7,12-trioneRefChem:181288orb3024849SCHEMBL29884562DTXSID40912810TN10072Benz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-4-O-((2R-trans)-5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3-((5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)oxy)-3,4,4a,12b-tetrahydro-4a,8,12b-trihydroxy-3-methyl-, (3R-(3-alpha(2S*,5S*(2R*,6S*)6S*),4a-alpha,12b-alpha))-1,5-Anhydro-2,6-dideoxy-4-O-(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)-1-[4a,8,12b-trihydroxy-3-methyl-3-({6-methyl-5-[(6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)oxy]oxan-2-yl}oxy)-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]hexitol
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 7
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,890
Physicochemical properties
- Boiling point
- 1003.1 · 1003.1±65.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- 6.01 · 6.01±0.70(Predicted)
Chemistry & industry
Applications
DescriptionSaquayamycin is an "aquayamycin-type" antibiotic isolated from Streptomyces nodosus.
UsesSaquayamycin A has antimicrobial effect, but it has weaker effect against Gram-negative bacteria. Saquayamycin A has inhibitory effect on leukemia P388 cells and Adriamycin-resistant P388 cells[1].
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Compound notes
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