OM 4842
Basic information
- CAS
115626-67-0- Standard SMILES
C[C@@H]1O[C@@H](O[C@@H]2C[C@H](c3ccc4c(c3O)C(=O)C3=C(C4=O)[C@@]4(O[C@H]5CC[C@H](O)[C@H](C)O5)C(=O)C[C@](C)(O)C[C@@]4(O)C=C3)O[C@H](C)[C@H]2O)CC[C@@H]1O- InChIKey
NXMILGRUJOPZOM-WCWCMWHBSA-N- Molecular formula
- C37H46O14
- Average molar mass
- 714.8 g/mol
- Monoisotopic mass
- 714.28875614
Overview
Urdamycin G is an anthraquinone and a glycoside.
Names & identifiers
- Preferred name
- OM 4842
- IUPAC
- (3R,4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
- English name
- OM 4842
- Molecular formula
- C37H46O14
- Molecular weight
- 714.75274
Names & synonyms
Urdamycin GOM 4842115626-67-0OM-4842DTXSID10151153(3R,4aR,12bS)-3,4a,8-trihydroxy-9-[(2R,4R,5R,6R)-5-hydroxy-4-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]-12b-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione(3R,4aR,12bS)-3,4a,8-trihydroxy-9-((2R,4R,5R,6R)-5-hydroxy-4-((2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl)-12b-((2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo(a)anthracene-1,7,12-trioneRefChem:168185DTXCID7073644AggreticinBenz(a)anthracene-1,7,12(2H)-trione, 9-(2,6-dideoxy-3-O-((2S-(2-alpha,5-beta,6-beta))-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)-beta-D-arabino-hexopyranosyl)-3,4,4a,12b-tetrahydro-3,4a,8-trihydroxy-3-methyl-12b-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-,(3R-(3-alpha,4a-alpha,12b-alpha(2S*,5S*,6S*)))-orb1738113
Show more names
SCHEMBL29885756CHEBI:32282Q27114851Aggreticin, OM-4842, OM4842, OM 4842, Urdamycin G(1R)-1,5-Anhydro-2,6-dideoxy-3-O-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]-1-[(3R,4aR,12bS)-3,4a,8-trihydroxy-12b-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrotetraphen-9-yl]-D-arabino-hexitol
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,480
Chemistry & industry
Applications
DescriptionOM-4842 is a platelet aggregation inhibitor from Streptomyces.
Additional notes
DefinitionChEBI: Urdamycin G is an anthraquinone and a glycoside.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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