GD019945

Name:

None

Formula:

C22H32O20N10P4

Smiles:

C[n+]1cn([C@@H]2O[C@H](COP(=O)(O)CP(=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)nc(O)c21

Aglycone:

COP(=O)(O)CP(=O)(O)OP(=O)([O-])OP(=O)(O)OC.C[N+]1=C[N]c2nc(N)nc(O)c21.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

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

Other Identifiers

• CHEMBL3350629

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

AD02044

Formula: C6H7ON5

Smiles:

C[N+]1=C[N]c2nc(N)nc(O)c21

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.17
AlogP:	-0.68	Num_rotatable_bonds:	0
MolWt:	165.16	Num_heavy_atoms:	12
TPSA:	89.14	NumAromaticRings:	1

AD10604

Formula: C3H11O12P4

Smiles:

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

HBA:	12	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	0.21	Num_rotatable_bonds:	8
MolWt:	363.01	Num_heavy_atoms:	19
TPSA:	188.95	NumAromaticRings:	0