Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-
Basic information
- CAS
87385-18-0- Standard SMILES
CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@@H]4O[C@H]5CC(=O)[C@H](C)O[C@H]5O[C@@H]4[C@H](C)O3)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1O[C@H]1C[C@H](N(C)C)[C@H](O[C@H]2CCC(O[C@H]4C=CC(=O)[C@H](C)O4)[C@H](C)O2)[C@H](C)O1)C(=O)c1cccc(O)c1C3=O- InChIKey
SGOOJJACKKMDRV-RFVRWLBISA-N- Molecular formula
- C60H80N2O21
- Average molar mass
- 1,165.3 g/mol
- Monoisotopic mass
- 1,164.52535756
Names & identifiers
- Preferred name
- Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-
- IUPAC
- (7S,9R,10R)-7-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[[(1R,3R,5S,8S,10S,12S,14S)-5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]oxy]-6-methyloxan-2-yl]oxy-10-[(2S,4S,5S,6S)-4-(dimethylamino)-6-methyl-5-[(2S,6S)-6-methyl-5-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]oxan-2-yl]oxyoxan-2-yl]oxy-9-ethyl-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
- English name
- ditrisarubicin C
- Molecular formula
- C60H80N2O21
- Molecular weight
- 1165.29
Names & synonyms
SCHEMBL29381144Cytorhodin A, 2F,3F-didehydro-4C,4F-dideoxy-2C,3B-epoxy-4C,4F-dioxo-, (2CS,3BS)-ditrisarubicin C
Database identifiers
- CAS
87385-18-0- PubChem CID
- 160288
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 276 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 23
- Rotatable bonds
- 13
- Heavy atoms
- 83
- Formal charge
- 0
- Complexity
- 2,360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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