GD015269

Name:

None

Formula:

C32H40O10N6S

Smiles:

CC(=O)OC[C@@H]1O[C@H](SC2=NNC(=O)C(C)N2N=Cc2cn(-c3ccccc3)nc2CC(C)C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)Cc1nn(-c2ccccc2)cc1C=NN1C(S)=NNC(=O)C1C.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1652045

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

AD11119

Formula: C18H22ON6S

Smiles:

CC(C)Cc1nn(-c2ccccc2)cc1C=NN1C(S)=NNC(=O)C1C

HBA:	7	RingCount:	3
HBD:	1	FractionCSP3:	0.33
AlogP:	2.43	Num_rotatable_bonds:	5
MolWt:	370.48	Num_heavy_atoms:	26
TPSA:	74.88	NumAromaticRings:	2