GD037549

Name:

None

Formula:

C49H78O17N16S

Smiles:

CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)N[C@H](Cc3cn(C[C@@H]4O[C@H](O[C@H]5[C@H](O[C@@H]6O[C@H](CN)[C@H](O)[C@H](O)[C@H]6N)[C@@H](N)C[C@@H](N)[C@H]5O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)nn3)C(=O)N[C@H](CCCCN)C(N)=O)c2)cs1

Aglycone:

CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)NC(Cc3cn(C)nn3)C(=O)NC(CCCCN)C(N)=O)c2)cs1.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

NCC1OC(O)C(N)C(O)C1O.NCC1OC(OC2C(O)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

• CHEMBL4790732

AD00009

Formula: C6H14O3N2

Smiles:

NC1CC(N)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	7	FractionCSP3:	1.0
AlogP:	-2.87	Num_rotatable_bonds:	0
MolWt:	162.19	Num_heavy_atoms:	11
TPSA:	112.73	NumAromaticRings:	0

AD23638

Formula: C27H36O5N10S

Smiles:

CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)NC(Cc3cn(C)nn3)C(=O)NC(CCCCN)C(N)=O)c2)cs1

HBA:	15	RingCount:	3
HBD:	8	FractionCSP3:	0.41
AlogP:	0.44	Num_rotatable_bonds:	16
MolWt:	612.72	Num_heavy_atoms:	43
TPSA:	229.11	NumAromaticRings:	3