GD019754

Name:

None

Formula:

C18H26O15N6P2

Smiles:

N=c1ccn([C@H]2O[C@@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=N)[nH]c4=O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1

Aglycone:

COP(=O)(O)OP(=O)(O)OC.N=c1cc[nH]c(=O)[nH]1.N=c1cc[nH]c(=O)[nH]1

Sugarmoiety:

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

Other Identifiers

• CHEMBL227527

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

AD13284

Formula: C4H5ON3

Smiles:

N=c1cc[nH]c(=O)[nH]1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.82	Num_rotatable_bonds:	0
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	72.5	NumAromaticRings:	1