GD008225

Name:

None

Formula:

C36H39O18N10P3

Smiles:

C[n+]1c(C=Cc2ccc3c(c2)Cc2ccccc2-3)n([C@@H]2O[C@H](COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21

Aglycone:

COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC.C[N+]1=C(C=Cc2ccc3c(c2)Cc2ccccc2-3)[N]c2nc(N)[nH]c(=O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2147409
• CHEMBL3546169

AD00207

Formula: C5H4ON5

Smiles:

Nc1nc2c(c(=O)[nH]1)N=C[N]2

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.74	Num_rotatable_bonds:	0
MolWt:	150.12	Num_heavy_atoms:	11
TPSA:	98.23	NumAromaticRings:	1

AD01306

Formula: C2H8O10P3

Smiles:

COP(=O)([O-])OP(=O)(O)OP(=O)(O)OC

HBA:	10	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.02	Num_rotatable_bonds:	6
MolWt:	285.0	Num_heavy_atoms:	15
TPSA:	151.65	NumAromaticRings:	0

AD01307

Formula: C21H17ON5

Smiles:

C[N+]1=C(C=Cc2ccc3c(c2)Cc2ccccc2-3)[N]c2nc(N)[nH]c(=O)c21

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.1
AlogP:	2.56	Num_rotatable_bonds:	2
MolWt:	355.4	Num_heavy_atoms:	27
TPSA:	88.88	NumAromaticRings:	3