GD024176

Name:

None

Formula:

C48H37O22N3

Smiles:

CC[C@]1(O)C[C@H](O[C@@H]2O[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2OC(=O)c2ccc([N+](=O)[O-])cc2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O

Aglycone:

CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O.COC(=O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1.O=C(O)c1ccc([N+](=O)[O-])cc1

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3245170

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

AD07624

Formula: C22H20O9

Smiles:

CCC1(O)CC(O)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O

HBA:	9	RingCount:	4
HBD:	5	FractionCSP3:	0.32
AlogP:	1.41	Num_rotatable_bonds:	2
MolWt:	428.39	Num_heavy_atoms:	31
TPSA:	161.59	NumAromaticRings:	2

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