GD104514

Name:

None

Formula:

C22H26O11N2

Smiles:

CC(=O)OC[C@@H]1O[C@@H](N2CCc3cc([N+](=O)[O-])ccc32)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=[N+]([O-])c1ccc2c(c1)CCN2

Sugarmoiety:

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

Other Identifiers

• ZINC000004823993

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

AD04535

Formula: C8H8O2N2

Smiles:

O=[N+]([O-])c1ccc2c(c1)CCN2

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.25
AlogP:	1.56	Num_rotatable_bonds:	1
MolWt:	164.16	Num_heavy_atoms:	12
TPSA:	55.17	NumAromaticRings:	1