GD010727

Name:

None

Formula:

C27H46O16N8P3I

Smiles:

CN(CCCN(C)C(=O)CCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H](O)[C@H]1O)C(=O)CCCCNC(=O)CI

Aglycone:

CN(CCCN(C)C(=O)CCCCNc1ncnc2c1N=C[N]2)C(=O)CCCCNC(=O)CI.COP(=O)(O)OP(=O)(O)OP(=O)(O)O

Sugarmoiety:

OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL2367951

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

AD08241

Formula: C22H34O3N8I

Smiles:

CN(CCCN(C)C(=O)CCCCNc1ncnc2c1N=C[N]2)C(=O)CCCCNC(=O)CI

HBA:	11	RingCount:	2
HBD:	2	FractionCSP3:	0.64
AlogP:	2.0	Num_rotatable_bonds:	16
MolWt:	585.47	Num_heavy_atoms:	34
TPSA:	133.99	NumAromaticRings:	1