9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-hydroxy-4,6,11-trimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
Basic information
- CAS
69804-37-1- Standard SMILES
COc1cccc2c1C(=O)c1c(OC)c3c(c(OC)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N)C(O)C(C)O1- InChIKey
ZQSRVDDXQPBMBV-UHFFFAOYSA-N- Molecular formula
- C29H33NO10
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.21044625
Names & identifiers
- Preferred name
- 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-hydroxy-4,6,11-trimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
- IUPAC
- 9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-9-hydroxy-4,6,11-trimethoxy-8,10-dihydro-7H-tetracene-5,12-dione
Names & synonyms
69804-37-1DTXSID009900733-Acetyl-3-hydroxy-5,10,12-trimethoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxyhexopyranoside
Database identifiers
- CAS
69804-37-1- PubChem CID
- 153221
- DTXSID
DTXSID00990073
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 992
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Compound notes
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