GD030573

Name:

None

Formula:

C31H59O14N11S

Smiles:

N=C(N)NCCC[C@H](NC(=O)CCC(=O)NC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@H](CN)[C@H](O)[C@H](O)[C@H]3O)[C@@H](N)C[C@H]2N)[C@H](O)[C@H](N)[C@H]1O)C(=O)N[C@H](CS)C(N)=O

Aglycone:

CNC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(N)=O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4781830

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

AD19781

Formula: C14H27O4N7S

Smiles:

CNC(=O)CCC(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(N)=O

HBA:	11	RingCount:	0
HBD:	9	FractionCSP3:	0.64
AlogP:	-2.84	Num_rotatable_bonds:	12
MolWt:	389.48	Num_heavy_atoms:	26
TPSA:	192.29	NumAromaticRings:	0