GD004890

Name:

None

Formula:

C28H30O12N5Br

Smiles:

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

Aglycone:

COC(C)=O.O=C(CCc1nc(-c2ccc(Br)cc2)no1)OCC1=C[N]N=N1

Sugarmoiety:

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

Other Identifiers

• CHEMBL558165

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

AD04217

Formula: C14H11O3N5Br

Smiles:

O=C(CCc1nc(-c2ccc(Br)cc2)no1)OCC1=C[N]N=N1

HBA:	8	RingCount:	3
HBD:	0	FractionCSP3:	0.21
AlogP:	2.8	Num_rotatable_bonds:	6
MolWt:	377.18	Num_heavy_atoms:	23
TPSA:	104.04	NumAromaticRings:	2