GD012118

Name:

None

Formula:

C29H33O12N5

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(COC(=O)CCc3nc(-c4ccc(C)cc4)no3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.Cc1ccc(-c2noc(CCC(=O)OCC3=C[N]N=N3)n2)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL558101

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

AD09153

Formula: C15H14O3N5

Smiles:

Cc1ccc(-c2noc(CCC(=O)OCC3=C[N]N=N3)n2)cc1

HBA:	8	RingCount:	3
HBD:	0	FractionCSP3:	0.27
AlogP:	2.35	Num_rotatable_bonds:	6
MolWt:	312.31	Num_heavy_atoms:	23
TPSA:	104.04	NumAromaticRings:	2