GD094942

Name:

None

Formula:

C20H26O10N4

Smiles:

C=CC(=O)NCCNc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O

Aglycone:

C=CC(=O)NCCNc1c[nH]c(=O)[nH]c1=O.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001169812364

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

AD40570

Formula: C9H12O3N4

Smiles:

C=CC(=O)NCCNc1c[nH]c(=O)[nH]c1=O

HBA:	7	RingCount:	1
HBD:	4	FractionCSP3:	0.22
AlogP:	-1.22	Num_rotatable_bonds:	5
MolWt:	224.22	Num_heavy_atoms:	16
TPSA:	106.85	NumAromaticRings:	1