GD106622

Name:

None

Formula:

C25H28O14N4

Smiles:

COc1ccc(Cn2c(=O)cnn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2=O)cc1[N+](=O)[O-]

Aglycone:

COC(C)=O.COc1ccc(Cn2c(=O)cn[nH]c2=O)cc1[N+](=O)[O-]

Sugarmoiety:

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

Other Identifiers

• ZINC000070670043

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

AD44192

Formula: C11H10O5N4

Smiles:

COc1ccc(Cn2c(=O)cn[nH]c2=O)cc1[N+](=O)[O-]

HBA:	9	RingCount:	2
HBD:	1	FractionCSP3:	0.18
AlogP:	-0.1	Num_rotatable_bonds:	4
MolWt:	278.22	Num_heavy_atoms:	20
TPSA:	120.12	NumAromaticRings:	2