GD098952

Name:

None

Formula:

C21H29O7N6

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(N4CC([NH+](C)C)C4)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.C[NH+](C)C1CN(c2ncnc3c2N=C[N]3)C1

Sugarmoiety:

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

Other Identifiers

• ZINC001163934052

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

AD42114

Formula: C10H14N6

Smiles:

C[NH+](C)C1CN(c2ncnc3c2N=C[N]3)C1

HBA:	6	RingCount:	3
HBD:	1	FractionCSP3:	0.5
AlogP:	-1.28	Num_rotatable_bonds:	2
MolWt:	218.26	Num_heavy_atoms:	16
TPSA:	59.92	NumAromaticRings:	1