GD007347

Name:

None

Formula:

C26H36O15N9P2S

Smiles:

CO[C@@H]1[C@H](OP(=O)(NCCCCCC(=O)[O-])OC[C@@H]2O[C@H](n3ccc(N)nc3=O)[C@H](O)[C@H]2O)[C@H](COP(=O)([O-])[S-])O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

Aglycone:

COP(=O)(O)NCCCCCC(=O)[O-].COP(=O)([O-])[S-].Nc1cc[nH]c(=O)n1.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

COC1OC(O)OC1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL507408

AD00115

Formula: C4H5ON3

Smiles:

Nc1cc[nH]c(=O)n1

HBA:	4	RingCount:	1
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	111.1	Num_heavy_atoms:	8
TPSA:	71.77	NumAromaticRings:	1

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

AD01902

Formula: C7H15O5NP

Smiles:

COP(=O)(O)NCCCCCC(=O)[O-]

HBA:	6	RingCount:	0
HBD:	2	FractionCSP3:	0.86
AlogP:	-0.37	Num_rotatable_bonds:	8
MolWt:	224.17	Num_heavy_atoms:	14
TPSA:	98.69	NumAromaticRings:	0

AD05992

Formula: CH3O3PS

Smiles:

COP(=O)([O-])[S-]

HBA:	3	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	-0.35	Num_rotatable_bonds:	1
MolWt:	126.07	Num_heavy_atoms:	6
TPSA:	49.36	NumAromaticRings:	0