GD033883

Name:

None

Formula:

C11H16O15N3P3

Smiles:

C[C@]1(O)[C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@]1(C#N)n1ccc(=O)[nH]c1=O

Aglycone:

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

Sugarmoiety:

CC1(O)C(O)C(O)OC1(O)C#N

Other Identifiers

• CHEMBL3686493

AD00106

Formula: C4H4O2N2

Smiles:

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

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.94	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.72	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