GD025460

Name:

None

Formula:

C29H29O9N4ClS

Smiles:

CC(=O)OCC1OC(n2c(C)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.Cc1[nH]c(=S)c(C#N)c(C)c1N=Nc1ccc(Cl)cc1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2003289

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

AD03583

Formula: C15H11N4ClS

Smiles:

Cc1[nH]c(=S)c(C#N)c(C)c1N=Nc1ccc(Cl)cc1

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.14
AlogP:	5.3	Num_rotatable_bonds:	2
MolWt:	302.79	Num_heavy_atoms:	20
TPSA:	64.3	NumAromaticRings:	2