GD014085

Name:

None

Formula:

C16H27O17N3P2

Smiles:

CON=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1

Aglycone:

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

Sugarmoiety:

OC1OC(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL594086

AD00305

Formula: CH6O7P2

Smiles:

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

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-0.16	Num_rotatable_bonds:	3
MolWt:	192.0	Num_heavy_atoms:	10
TPSA:	113.29	NumAromaticRings:	0

AD02305

Formula: C5H7O2N3

Smiles:

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

HBA:	5	RingCount:	1
HBD:	2	FractionCSP3:	0.2
AlogP:	-0.83	Num_rotatable_bonds:	1
MolWt:	141.13	Num_heavy_atoms:	10
TPSA:	70.24	NumAromaticRings:	1