GD139980

Name:

Park Nucleotide

Formula:

C40H65O26N9P2

Smiles:

CC(O)=NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(O)nc3=O)C(O)C2O)OC(CO)C(O)C1OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O

Aglycone:

CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O.COP(=O)(O)OP(=O)(O)O.O=c1nc(O)cc[nH]1

Sugarmoiety:

CC(O)=NC1OOC(CO)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CNP0425594

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

AD15478

Formula: C4H4O2N2

Smiles:

O=c1nc(O)cc[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.52	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.98	NumAromaticRings:	1

AD56443

Formula: C23H40O10N6

Smiles:

CC(O)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCCN)C(O)=NC(C)C(O)=NC(C)C(=O)O)C(=O)O

HBA:	16	RingCount:	0
HBD:	10	FractionCSP3:	0.7
AlogP:	1.13	Num_rotatable_bonds:	18
MolWt:	560.61	Num_heavy_atoms:	39
TPSA:	283.8	NumAromaticRings:	0