GD092744

Name:

None

Formula:

C16H18O8N4S

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2c(=S)[nH]c3c(=O)[nH]cnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.O=c1[nH]cnc2[nH]c(=S)[nH]c12

Sugarmoiety:

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

Other Identifiers

• ZINC000390822306

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

AD25407

Formula: C5H4ON4S

Smiles:

O=c1[nH]cnc2[nH]c(=S)[nH]c12

HBA:	5	RingCount:	2
HBD:	3	FractionCSP3:	0.0
AlogP:	0.31	Num_rotatable_bonds:	0
MolWt:	168.18	Num_heavy_atoms:	11
TPSA:	77.33	NumAromaticRings:	2