Basic information
- CAS
160219-87-4- Standard SMILES
CNC1(C)CC(c2ccc3c(c2O)C(=O)c2c(cc(O)c4c(=O)cc(C5(C)OC5C)oc24)C3=O)OC(C)C1OC1CC(OC)C(O)C(C)O1- InChIKey
CJQINBXVKXTMSP-UHFFFAOYSA-N- Molecular formula
- C36H41NO12
- Average molar mass
- 679.7 g/mol
- Monoisotopic mass
- 679.26287574
Overview
Altromycin H is a glycoside and a benzochromenone.
Names & identifiers
- Preferred name
- Altromycin H
- IUPAC
- 2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxy-10-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-(methylamino)oxan-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
Names & synonyms
Altromycin H2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxy-10-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-(methylamino)oxan-2-yl]naphtho[2,3-h]chromene-4,7,12-trione2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxy-10-(5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4,6-dimethyl-4-(methylamino)oxan-2-yl)naphtho(2,3-h)chromene-4,7,12-trioneRefChem:915604160219-87-4DTXSID60936250CHEBI:2005041,5-Anhydro-2,3,6-trideoxy-4-O-(2,6-dideoxy-3-O-methylhexopyranosyl)-1-[2-(2,3-dimethyloxiran-2-yl)-5,11-dihydroxy-4,7,12-trioxo-7,12-dihydro-4H-anthra[1,2-b]pyran-10-yl]-3-methyl-3-(methylamino)hexitol
Database identifiers
- CAS
160219-87-4- PubChem CID
- 5488701
- DTXSID
DTXSID60936250- ChEBI
CHEBI:200504
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 183 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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