GD010498

Name:

None

Formula:

C23H27O11N3S

Smiles:

CC(=O)OC[C@@H]1O[C@H](S(=O)(=O)Cc2cn(-c3ccccc3)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=[S](=O)Cc1cn(-c2ccccc2)nn1

Sugarmoiety:

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

Other Identifiers

• CHEMBL2442159

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

AD08100

Formula: C9H8O2N3S

Smiles:

O=[S](=O)Cc1cn(-c2ccccc2)nn1

HBA:	5	RingCount:	2
HBD:	0	FractionCSP3:	0.11
AlogP:	0.65	Num_rotatable_bonds:	3
MolWt:	222.25	Num_heavy_atoms:	15
TPSA:	64.85	NumAromaticRings:	2