GD136489

Name:

None

Formula:

C39H54O24N7P

Smiles:

CC(Nc1ccc(CC(O)C(O)C(O)COC2OC(COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O)cc1)c1cnc2[nH]c(=N)nc(O)c2n1

Aglycone:

COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O.Cc1ccc(NC(C)c2cnc3[nH]c(=N)nc(O)c3n2)cc1

Sugarmoiety:

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

Other Identifiers

• CNP0458426

AD45170

Formula: C10H16O11NP

Smiles:

COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O

HBA:	12	RingCount:	0
HBD:	5	FractionCSP3:	0.6
AlogP:	-0.13	Num_rotatable_bonds:	11
MolWt:	357.21	Num_heavy_atoms:	23
TPSA:	200.25	NumAromaticRings:	0

AD45171

Formula: C15H16ON6

Smiles:

Cc1ccc(NC(C)c2cnc3[nH]c(=N)nc(O)c3n2)cc1

HBA:	7	RingCount:	3
HBD:	4	FractionCSP3:	0.2
AlogP:	2.02	Num_rotatable_bonds:	3
MolWt:	296.33	Num_heavy_atoms:	22
TPSA:	110.57	NumAromaticRings:	3