GD036819

Name:

None

Formula:

C46H76O12N20

Smiles:

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)n1cc(CN(CC[C@H](N)C(=O)O)C[C@@H]2O[C@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O)nn1)C(=O)N[C@H](C)C(N)=O

Aglycone:

CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CO)n1cc(CN(C)CCC(N)C(=O)O)nn1)C(=O)NC(C)C(N)=O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4468450

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

AD23220

Formula: C37H67O9N15

Smiles:

CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CO)n1cc(CN(C)CCC(N)C(=O)O)nn1)C(=O)NC(C)C(N)=O

HBA:	24	RingCount:	2
HBD:	16	FractionCSP3:	0.73
AlogP:	-4.08	Num_rotatable_bonds:	28
MolWt:	866.04	Num_heavy_atoms:	61
TPSA:	385.22	NumAromaticRings:	1