GD014270

Name:

None

Formula:

C57H98O18N32

Smiles:

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

Aglycone:

CC(NC(=O)C(CNC(=O)C(CNC=O)C(=O)O)C(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL611127

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

AD10516

Formula: C48H89O15N27

Smiles:

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

HBA:	42	RingCount:	0
HBD:	36	FractionCSP3:	0.62
AlogP:	-10.67	Num_rotatable_bonds:	47
MolWt:	1284.41	Num_heavy_atoms:	90
TPSA:	745.2	NumAromaticRings:	0