5, 8-acetyl-10-[(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-

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Basic information

CAS: 64842-75-7
Standard SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC(O)C(O)C(C)O1
InChIKey: QAFPIRVGDWNCDV-JYZNYWJRSA-N
Molecular formula: C27H28O11
Average molar mass: 528.5 g/mol
Monoisotopic mass: 528.16316171

Names & identifiers

Preferred name: 5, 8-acetyl-10-[(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-
IUPAC: (7S,9S)-9-acetyl-7-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Names & synonyms

NSC 284682MLS002703048NSC284682CHEMBL1981596NSC-284682NCI60_0023325, 8-acetyl-10-[(2,6-dideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, (8S-cis)-

Database identifiers

CAS: 64842-75-7
PubChem CID: 323563
ChEMBL: CHEMBL1981596

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 180 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 11
Rotatable bonds: 4
Heavy atoms: 38
Formal charge: 0
Complexity: 955

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Compound notes

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