GD029818

Name:

None

Formula:

C28H27O13N3

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc(-c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3339266

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

AD19348

Formula: C14H9O4N3

Smiles:

O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(O)cc3)o2)cc1

HBA:	7	RingCount:	3
HBD:	1	FractionCSP3:	0.0
AlogP:	3.02	Num_rotatable_bonds:	3
MolWt:	283.24	Num_heavy_atoms:	21
TPSA:	102.29	NumAromaticRings:	3