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Chemical structure of Aclacinomycin A

GC10102

Aclacinomycin A

Also known as methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

An anthracycline with antibiotic and anticancer activities

ChemicalCAS57576-44-0MW811.87FormulaC42H53NO15
CAS number
57576-44-0
Molecular weight
811.87
Formula
C42H53NO15
Solubility
Soluble in DMSO
InChIKey
USZYSDMBJDPRIF-XCKHQVGJSA-N
Catalogue number
GC10102
Brand
GLPBIO
Computed properties PubChem CID 308141 · XLogP 3.8 · TPSA 217 Ų · H-bond donors 4
XLogP
3.8
TPSA
217 Ų
H-bond donors
4
H-bond acceptors
16
Rotatable bonds
10
Heavy atoms
58

SMILES CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O

Computed descriptors from PubChem (CID 308141), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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