GD018856

Name:

None

Formula:

C19H25O11N3

Smiles:

CC(=O)OCC1OC(OC=C(CN=[N+]=[N-])C(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

CC(=O)C(=CO)CN=[N+]=[N-].COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1973252

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD13226

Formula: C5H7O2N3

Smiles:

CC(=O)C(=CO)CN=[N+]=[N-]

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.4
AlogP:	1.33	Num_rotatable_bonds:	3
MolWt:	141.13	Num_heavy_atoms:	10
TPSA:	86.06	NumAromaticRings:	0