GD106456

Name:

None

Formula:

C31H36O17N6

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2ccc(NC(=O)Nc3ccn([C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]4OC(C)=O)c(=O)n3)nc2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.O=C(Nc1cc[nH]c(=O)n1)Nc1cc[nH]c(=O)n1

Sugarmoiety:

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

Other Identifiers

• ZINC000195785424

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

AD44181

Formula: C9H8O3N6

Smiles:

O=C(Nc1cc[nH]c(=O)n1)Nc1cc[nH]c(=O)n1

HBA:	9	RingCount:	2
HBD:	4	FractionCSP3:	0.0
AlogP:	-0.5	Num_rotatable_bonds:	2
MolWt:	248.2	Num_heavy_atoms:	18
TPSA:	132.63	NumAromaticRings:	2