GD097555

Name:

None

Formula:

C21H25O9N5

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cnc(N(C)C)nc3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CN(C)c1ncc(-c2c[nH]c(=O)[nH]c2=O)cn1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC001205037172

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

AD41511

Formula: C10H11O2N5

Smiles:

CN(C)c1ncc(-c2c[nH]c(=O)[nH]c2=O)cn1

HBA:	7	RingCount:	2
HBD:	2	FractionCSP3:	0.2
AlogP:	-0.41	Num_rotatable_bonds:	2
MolWt:	233.23	Num_heavy_atoms:	17
TPSA:	94.74	NumAromaticRings:	2