GD004830

Name:

None

Formula:

C40H70O10N22

Smiles:

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CCCCCNC(=O)[C@@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(=O)O

Aglycone:

N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC=O)C(=O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL611118

AD00058

Formula: C5H4N5

Smiles:

Nc1ncnc2c1N=C[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	134.12	Num_heavy_atoms:	10
TPSA:	78.26	NumAromaticRings:	1

AD04169

Formula: C31H61O7N17

Smiles:

N=C(N)NCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CCCCCNC=O)C(=O)O

HBA:	24	RingCount:	0
HBD:	22	FractionCSP3:	0.68
AlogP:	-4.63	Num_rotatable_bonds:	31
MolWt:	783.94	Num_heavy_atoms:	55
TPSA:	430.4	NumAromaticRings:	0