GD105759

Name:

None

Formula:

C32H42O20N4

Smiles:

CNc1nn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c(=O)n([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)c1=O

Aglycone:

CNc1n[nH]c(=O)[nH]c1=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000248093845

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

AD44072

Formula: C4H6O2N4

Smiles:

CNc1n[nH]c(=O)[nH]c1=O

HBA:	6	RingCount:	1
HBD:	3	FractionCSP3:	0.25
AlogP:	-1.5	Num_rotatable_bonds:	1
MolWt:	142.12	Num_heavy_atoms:	10
TPSA:	90.64	NumAromaticRings:	1