GD031097

Name:

None

Formula:

C32H61O15N11

Smiles:

C[C@H](O)[C@H](NC(=O)[C@H](CCCNC(=N)N)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(N)=O

Aglycone:

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

• CHEMBL4746353

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

AD20064

Formula: C15H29O5N7

Smiles:

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

HBA:	12	RingCount:	0
HBD:	10	FractionCSP3:	0.67
AlogP:	-3.39	Num_rotatable_bonds:	12
MolWt:	387.44	Num_heavy_atoms:	27
TPSA:	212.52	NumAromaticRings:	0