GD026233

Name:

None

Formula:

C38H61O17N17S2

Smiles:

CSCC[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)NS(=O)(=O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)[C@H](C)O

Aglycone:

COS(=O)(=O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCSC)C(C)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL452989

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD17308

Formula: C29H52O14N12S2

Smiles:

COS(=O)(=O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCSC)C(C)O

HBA:	26	RingCount:	0
HBD:	17	FractionCSP3:	0.66
AlogP:	-7.37	Num_rotatable_bonds:	27
MolWt:	856.94	Num_heavy_atoms:	57
TPSA:	435.61	NumAromaticRings:	0