GD037093

Name:

None

Formula:

C46H71O17N15S

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](C)C(N)=O)c2)cs1

Aglycone:

CC(=O)Nc1nc(-c2cccc(NC(=O)CCC(=O)NC(Cc3cn(C)nn3)C(=O)NC(C)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

• CHEMBL4755325

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

AD23391

Formula: C24H29O5N9S

Smiles:

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

HBA:	14	RingCount:	3
HBD:	6	FractionCSP3:	0.33
AlogP:	0.33	Num_rotatable_bonds:	12
MolWt:	555.62	Num_heavy_atoms:	39
TPSA:	203.09	NumAromaticRings:	3