GD030337

Name:

None

Formula:

C33H32O13N6

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(COc3ccc4c(c3)OC(N)=C(C#N)C4c3ccc([N+](=O)[O-])cc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.N#CC1=C(N)Oc2cc(OCC3=C[N]N=N3)ccc2C1c1ccc([N+](=O)[O-])cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4465629

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

AD19631

Formula: C19H13O4N6

Smiles:

N#CC1=C(N)Oc2cc(OCC3=C[N]N=N3)ccc2C1c1ccc([N+](=O)[O-])cc1

HBA:	10	RingCount:	4
HBD:	2	FractionCSP3:	0.11
AlogP:	3.02	Num_rotatable_bonds:	5
MolWt:	389.35	Num_heavy_atoms:	29
TPSA:	150.23	NumAromaticRings:	2