GD150832

Name:

Blasticidin A

Formula:

C58H107O23N

Smiles:

CCCCCCCCCCC(O)CC1(O)OC(CC(O)C(O)C(O)C(O)C(O)CC(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(O)CC(C)CC(C)C=C(C)C(O)=C2C(=O)CN(C)C2=O)C(O)C(O)C1O

Aglycone:

CC(=CC(C)CC(C)CC(O)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)CC(C)O)C(O)=C1C(=O)CN(C)C1=O.CCCCCCCCCCC(C)O

Sugarmoiety:

OC(O)C(O)C(O)C(O)C(O)CC1OC(O)(O)C(O)C(O)C1O

Other Identifiers

• CNP0263413

AD60209

Formula: C35H63O12N

Smiles:

CC(=CC(C)CC(C)CC(O)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)CC(C)O)C(O)=C1C(=O)CN(C)C1=O

HBA:	13	RingCount:	1
HBD:	10	FractionCSP3:	0.83
AlogP:	0.58	Num_rotatable_bonds:	21
MolWt:	689.88	Num_heavy_atoms:	48
TPSA:	239.68	NumAromaticRings:	0

AD60210

Formula: C12H26O

Smiles:

CCCCCCCCCCC(C)O

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	3.9	Num_rotatable_bonds:	9
MolWt:	186.34	Num_heavy_atoms:	13
TPSA:	20.23	NumAromaticRings:	0