GD002433

Name:

None

Formula:

C46H80O22N19P3S

Smiles:

CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C)C(=O)NC(CNC(=O)CSP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)O

Aglycone:

COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NCC(NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)O.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL1161622

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

AD02330

Formula: C37H71O19N14P3S

Smiles:

COP(=O)(O)OP(=O)(O)OP(=O)(O)SCC(=O)NCC(NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(C)=O)C(=O)NC(CC(C)C)C(=O)NCC(=O)O

HBA:	33	RingCount:	0
HBD:	20	FractionCSP3:	0.7
AlogP:	-3.83	Num_rotatable_bonds:	36
MolWt:	1141.04	Num_heavy_atoms:	74
TPSA:	538.49	NumAromaticRings:	0