GD112135

Name:

None

Formula:

C27H24O11N2

Smiles:

CO[C@H]1O[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](OCc2ccccc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1

Aglycone:

COC(=O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1.OCc1ccccc1

Sugarmoiety:

COC1OC(O)C(O)C1O

Other Identifiers

• ZINC000004946674

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1

AD04460

Formula: C7H5O4N

Smiles:

O=C(O)c1ccc([N+](=O)[O-])cc1

HBA:	5	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	1.29	Num_rotatable_bonds:	2
MolWt:	167.12	Num_heavy_atoms:	12
TPSA:	80.44	NumAromaticRings:	1

AD16164

Formula: C8H7O4N

Smiles:

COC(=O)c1ccc([N+](=O)[O-])cc1

HBA:	5	RingCount:	1
HBD:	0	FractionCSP3:	0.12
AlogP:	1.38	Num_rotatable_bonds:	2
MolWt:	181.15	Num_heavy_atoms:	13
TPSA:	69.44	NumAromaticRings:	1