GD018328

Name:

None

Formula:

C50H59O37N25P7Br5

Smiles:

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@H](COP(=O)(O)O[C@@H]5[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]5n5c(Br)nc6c(N)ncnc65)O[C@H]4n4c(Br)nc5c(N)ncnc54)O[C@H]3n3c(Br)nc4c(N)ncnc43)O[C@H]2n2c(Br)nc3c(N)ncnc32)[C@H](O)[C@H]1O

Aglycone:

COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)O.COP(=O)(O)OP(=O)(O)OP(=O)(O)O.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2.Nc1ncnc2c1N=C(Br)[N]2

Sugarmoiety:

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

Other Identifiers

• CHEMBL3143409

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

AD00486

Formula: C5H3N5Br

Smiles:

Nc1ncnc2c1N=C(Br)[N]2

HBA:	5	RingCount:	2
HBD:	2	FractionCSP3:	0.0
AlogP:	0.69	Num_rotatable_bonds:	0
MolWt:	213.02	Num_heavy_atoms:	11
TPSA:	78.26	NumAromaticRings:	1

AD00534

Formula: CH7O10P3

Smiles:

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

HBA:	10	RingCount:	0
HBD:	4	FractionCSP3:	1.0
AlogP:	-0.04	Num_rotatable_bonds:	5
MolWt:	271.98	Num_heavy_atoms:	14
TPSA:	159.82	NumAromaticRings:	0