GD017967

Name:

None

Formula:

C22H31O12N5

Smiles:

CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OCCN(C)C(=O)Cn1ccnc1[N+](=O)[O-]

Aglycone:

CN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-].COC(C)=O

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL271916

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

AD03471

Formula: C8H12O4N4

Smiles:

CN(CCO)C(=O)Cn1ccnc1[N+](=O)[O-]

HBA:	8	RingCount:	1
HBD:	1	FractionCSP3:	0.5
AlogP:	-0.76	Num_rotatable_bonds:	5
MolWt:	228.21	Num_heavy_atoms:	16
TPSA:	101.5	NumAromaticRings:	1