GD007039

Name:

None

Formula:

C27H32O14N4S

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2c(=S)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c3ncncc32)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.S=c1[nH]c2cncnc2[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL1766738

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

AD05758

Formula: C5H4N4S

Smiles:

S=c1[nH]c2cncnc2[nH]1

HBA:	4	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	1.02	Num_rotatable_bonds:	0
MolWt:	152.18	Num_heavy_atoms:	10
TPSA:	57.36	NumAromaticRings:	2