GD030181

Name:

None

Formula:

C23H45O11N11

Smiles:

N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](O[C@@H]2O[C@H](CNC(=O)CCN)[C@H](O)[C@H](O)[C@H]2NC(=N)N)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O

Aglycone:

CNC(=O)CCN.N=C(N)NC1CC(NC(=N)N)C(O)C(O)C1O

Sugarmoiety:

N=C(N)NC1C(O)OC(O)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3221600

AD01955

Formula: C8H18O3N6

Smiles:

N=C(N)NC1CC(NC(=N)N)C(O)C(O)C1O

HBA:	9	RingCount:	1
HBD:	11	FractionCSP3:	0.75
AlogP:	-3.82	Num_rotatable_bonds:	2
MolWt:	246.27	Num_heavy_atoms:	17
TPSA:	184.49	NumAromaticRings:	0

AD10031

Formula: C4H10ON2

Smiles:

CNC(=O)CCN

HBA:	3	RingCount:	0
HBD:	3	FractionCSP3:	0.75
AlogP:	-0.92	Num_rotatable_bonds:	2
MolWt:	102.14	Num_heavy_atoms:	7
TPSA:	55.12	NumAromaticRings:	0