GD031551

Name:

None

Formula:

C45H59O22N20P3

Smiles:

CO[C@@H]1[C@@H](O)[C@H](COP(=O)(O)O[C@H]2[C@H](COP(=O)(O)O[C@@H]3CN(Cc4c[nH]c5c(N)ncnc45)C[C@H]3COP(=O)(O)OC3[C@H](CO)O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@@H]3OC)O[C@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H]2OC)O[C@@H]1n1cnc2c(N)ncnc21

Aglycone:

COP(=O)(O)O.COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1COP(=O)(O)O.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1ncnc2c1N=C[N]2

Sugarmoiety:

COC1C(O)OC(CO)C1O.COC1C(O)OC(O)C1O.COC1C(O)OC(O)C1O

Other Identifiers

• CHEMBL4061265

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

AD00079

Formula: CH5O4P

Smiles:

COP(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-0.27	Num_rotatable_bonds:	1
MolWt:	112.02	Num_heavy_atoms:	6
TPSA:	66.76	NumAromaticRings:	0

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

AD20038

Formula: C13H21O8N5P2

Smiles:

COP(=O)(O)OC1CN(Cc2c[nH]c3c(N)ncnc23)CC1COP(=O)(O)O

HBA:	13	RingCount:	3
HBD:	6	FractionCSP3:	0.54
AlogP:	0.21	Num_rotatable_bonds:	8
MolWt:	437.29	Num_heavy_atoms:	28
TPSA:	193.35	NumAromaticRings:	2