GD002496

Name:

None

Formula:

C40H70O9N18

Smiles:

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

Aglycone:

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

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL297394
• CHEMBL447678
• CHEMBL506331

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

AD02379

Formula: C31H61O6N13

Smiles:

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

HBA:	19	RingCount:	0
HBD:	17	FractionCSP3:	0.74
AlogP:	-2.44	Num_rotatable_bonds:	31
MolWt:	711.91	Num_heavy_atoms:	50
TPSA:	338.41	NumAromaticRings:	0