GD036121

Name:

None

Formula:

C22H30O13N10P2S3

Smiles:

Nc1nc2c(ncn2[C@H]2O[C@@H](COP(=O)(S)SCCOP(=O)(S)OC[C@H]3O[C@@H](n4cnc5c(=O)[nH]c(N)nc54)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)c(=O)[nH]1

Aglycone:

COP(=O)(S)OCCSP(=O)(S)OC.Nc1nc2c(c(=O)[nH]1)N=C[N]2.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3900226

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

AD22812

Formula: C4H12O5P2S3

Smiles:

COP(=O)(S)OCCSP(=O)(S)OC

HBA:	5	RingCount:	0
HBD:	0	FractionCSP3:	1.0
AlogP:	3.1	Num_rotatable_bonds:	7
MolWt:	298.28	Num_heavy_atoms:	14
TPSA:	61.83	NumAromaticRings:	0