GD032676

Name:

None

Formula:

C49H68O19N9P3S2

Smiles:

CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](O)[C@H]3O)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21

Aglycone:

CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL4217031

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

AD20920

Formula: C40H59O16N4P3S2

Smiles:

CC[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCCCNP(=O)(O)OP(=O)(O)OP(=O)(O)OC)c3ccc(S(=O)(=O)O)cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)[O-])ccc21

HBA:	20	RingCount:	4
HBD:	6	FractionCSP3:	0.5
AlogP:	6.84	Num_rotatable_bonds:	25
MolWt:	1008.98	Num_heavy_atoms:	65
TPSA:	298.54	NumAromaticRings:	2