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Basic information
- Standard SMILES
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)CO)CC3OC1CC(OC(C)=O)C(OC(C)=O)C(C)O1- InChIKey
FCYRUGFDQOKETE-UHFFFAOYSA-N- Molecular formula
- C31H32O14
- Average molar mass
- 628.6 g/mol
- Monoisotopic mass
- 628.17920569
Names & identifiers
- Preferred name
- [3-acetyloxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate
- IUPAC
- [3-acetyloxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate
Names & synonyms
[3-acetyloxy-2-methyl-6-[[3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate
Database identifiers
- PubChem CID
- 100012
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 212 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
0 records
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Compound notes
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