GD103728

Name:

None

Formula:

C15H16O7N3I

Smiles:

CC(=O)OC[C@H]1O[C@@H](n2cnc(C#N)c2I)[C@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

COC(C)=O.N#CC1=C(I)[N]C=N1

Sugarmoiety:

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

Other Identifiers

• ZINC000077301291

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

AD43863

Formula: C4HN3I

Smiles:

N#CC1=C(I)[N]C=N1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.0
AlogP:	0.76	Num_rotatable_bonds:	0
MolWt:	217.98	Num_heavy_atoms:	8
TPSA:	50.25	NumAromaticRings:	0