GD015347

Name:

None

Formula:

C17H22O9N3I

Smiles:

CC(=O)OC[C@@H]1O[C@H](n2cc(CI)nn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.ICC1=C[N]N=N1

Sugarmoiety:

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

Other Identifiers

• CHEMBL3229472

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

AD11163

Formula: C3H3N3I

Smiles:

ICC1=C[N]N=N1

HBA:	3	RingCount:	1
HBD:	0	FractionCSP3:	0.33
AlogP:	1.25	Num_rotatable_bonds:	1
MolWt:	207.98	Num_heavy_atoms:	7
TPSA:	38.82	NumAromaticRings:	0