GD005980

Name:

None

Formula:

C33H30O10N3S2Br

Smiles:

CC(=O)OC[C@@H]1O[C@H](N2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3ccc(Br)cc3)SC2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3781530

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

AD04995

Formula: C19H12ON3S2Br

Smiles:

O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1

HBA:	4	RingCount:	4
HBD:	1	FractionCSP3:	0.0
AlogP:	4.79	Num_rotatable_bonds:	3
MolWt:	442.36	Num_heavy_atoms:	26
TPSA:	46.92	NumAromaticRings:	3