GD007194

Name:

None

Formula:

C47H88O15N22S2

Smiles:

N=C(N)NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@H]4NC(=N)N)[C@@H](NC(=N)N)C[C@@H](NC(=N)N)[C@H]3O)O[C@H]2CSCCNC(=O)CCCCCNC(=O)CCCC[C@@H]2SCC3NC(=O)NC32)[C@H](NC(=N)N)[C@H](O)[C@H]1O

Aglycone:

CNC(=N)N.CNC(=N)N.CSCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21.N=C(N)NC1CC(NC(=N)N)C(O)C(O)C1O

Sugarmoiety:

N=C(N)NC1C(O)OC(O)C(O)C1O.N=C(N)NC1C(OC2C(O)OC(O)C2O)OC(O)C(O)C1O

Other Identifiers

• CHEMBL1162335

AD01954

Formula: C2H7N3

Smiles:

CNC(=N)N

HBA:	3	RingCount:	0
HBD:	4	FractionCSP3:	0.5
AlogP:	-0.9	Num_rotatable_bonds:	0
MolWt:	73.1	Num_heavy_atoms:	5
TPSA:	61.9	NumAromaticRings:	0

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

AD05877

Formula: C19H34O3N4S2

Smiles:

CSCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

HBA:	7	RingCount:	2
HBD:	4	FractionCSP3:	0.84
AlogP:	1.87	Num_rotatable_bonds:	14
MolWt:	430.64	Num_heavy_atoms:	28
TPSA:	99.33	NumAromaticRings:	0