GD036476

Name:

None

Formula:

C23H26O18N9P3

Smiles:

C#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2O[C@H]([n+]3cc(N=[N+]=[N-])cc(C(=O)[O-])c3)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OP(=O)(O)O

Aglycone:

C#CC1=Nc2c(N)ncnc2[N]1.COP(=O)(O)OP(=O)(O)OC.O=P(O)(O)O.[N-]=[N+]=Nc1c[nH+]cc(C(=O)[O-])c1

Sugarmoiety:

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

Other Identifiers

• CHEMBL4785009

AD00019

Formula: H3O4P

Smiles:

O=P(O)(O)O

HBA:	4	RingCount:	0
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.93	Num_rotatable_bonds:	0
MolWt:	97.99	Num_heavy_atoms:	5
TPSA:	77.76	NumAromaticRings:	0

AD00050

Formula: C2H8O7P2

Smiles:

COP(=O)(O)OP(=O)(O)OC

HBA:	7	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	0.5	Num_rotatable_bonds:	4
MolWt:	206.03	Num_heavy_atoms:	11
TPSA:	102.29	NumAromaticRings:	0

AD07522

Formula: C7H4N5

Smiles:

C#CC1=Nc2c(N)ncnc2[N]1

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.03	Num_rotatable_bonds:	0
MolWt:	158.14	Num_heavy_atoms:	12
TPSA:	78.26	NumAromaticRings:	1

AD17668

Formula: C6H4O2N4

Smiles:

[N-]=[N+]=Nc1c[nH+]cc(C(=O)[O-])c1

HBA:	6	RingCount:	1
HBD:	1	FractionCSP3:	0.0
AlogP:	-0.19	Num_rotatable_bonds:	2
MolWt:	164.12	Num_heavy_atoms:	12
TPSA:	103.03	NumAromaticRings:	1