GD021848

Name:

None

Formula:

C29H34O10N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](Sc2nnc(-c3cn(-c4ccccc4)nc3CC(C)C)o2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(C)Cc1nn(-c2ccccc2)cc1-c1nnc(S)o1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1652004

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

AD14874

Formula: C15H16ON4S

Smiles:

CC(C)Cc1nn(-c2ccccc2)cc1-c1nnc(S)o1

HBA:	5	RingCount:	3
HBD:	0	FractionCSP3:	0.27
AlogP:	3.41	Num_rotatable_bonds:	4
MolWt:	300.39	Num_heavy_atoms:	21
TPSA:	56.74	NumAromaticRings:	3