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Chemical structure of Blasticidin A

GC40060

Blasticidin A

Also known as (3Z)-1-methyl-3-[(E)-1,8,9,11,13,15,17,19,21,23,25,26,27,28,29-pentadecahydroxy-2,4,6,10,14,16-hexamethyl-30-[3,4,5,6-tetrahydroxy-6-(2-hydroxydodecyl)oxan-2-yl]triacont-2-enylidene]pyrrolidine-2,4-dione

Blasticidin A is a bacterial metabolite originally isolated from S

ChemicalCAS100513-53-9MW1186.5FormulaC58H107NO23
CAS number
100513-53-9
Molecular weight
1186.5
Formula
C58H107NO23
Solubility
Soluble in DMSO
InChIKey
VVBSMETZVCGSHB-ONKGEUKFSA-N
Catalogue number
GC40060
Brand
GLPBIO
Computed properties PubChem CID 54710956 · XLogP 1.9 · TPSA 451 Ų · H-bond donors 20
XLogP
1.9
TPSA
451 Ų
H-bond donors
20
H-bond acceptors
23
Rotatable bonds
40
Heavy atoms
82

SMILES CCCCCCCCCCC(CC1(C(C(C(C(O1)CC(C(C(C(C(CC(CC(CC(CC(C(C)C(C(C)C(CC(C(C)C(C(CC(C)CC(C)/C=C(\C)/C(=C/2\C(=O)CN(C2=O)C)/O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O)O

Computed descriptors from PubChem (CID 54710956), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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