GD029410

Name:

None

Formula:

C48H78O23N20S2

Smiles:

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)N[C@H](CC(=O)O)C(=O)N[C@H](CSCc1cn(C[C@@H]2O[C@H](O[C@@H]3O[C@H](Cn4cc(CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](N)CCCNC(=N)N)C(=O)O)nn4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)nn1)C(=O)O

Aglycone:

Cn1cc(CSCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(N)CCCNC(=N)N)C(=O)O)nn1.Cn1cc(CSCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(N)CCCNC(=N)N)C(=O)O)nn1

Sugarmoiety:

OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL3357762

AD19135

Formula: C19H32O7N10S

Smiles:

Cn1cc(CSCC(NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(N)CCCNC(=N)N)C(=O)O)nn1

HBA:	17	RingCount:	1
HBD:	11	FractionCSP3:	0.58
AlogP:	-3.72	Num_rotatable_bonds:	17
MolWt:	544.6	Num_heavy_atoms:	37
TPSA:	280.53	NumAromaticRings:	1