GD020179

Name:

None

Formula:

C60H67O28N17P4

Smiles:

Cc1cn([C@@H]2C[C@H](OP(=O)(O)O[C@@H]3O[C@H](n4cnc5c(O)nc(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(O)nc(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(O)nc(N)nc54)C[C@H]3OP(=O)(O)O)[C@H](COCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O2)c(=O)[nH]c1=O

Aglycone:

Cc1cn(C2CC(OP(=O)(O)O)C(COCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O2)c(=O)[nH]c1=O.Nc1nc(O)c2c(n1)[N]C=N2.Nc1nc(O)c2ncn(C3CC(OP(=O)(O)O)C(COP(=O)(O)OC4CC(n5cnc6c(O)nc(N)nc65)OC4COP(=O)(O)O)O3)c2n1

Sugarmoiety:

OC1CC(O)C(O)O1

Other Identifiers

• CHEMBL1160371

AD00080

Formula: C5H4ON5

Smiles:

Nc1nc(O)c2c(n1)[N]C=N2

HBA:	6	RingCount:	2
HBD:	3	FractionCSP3:	0.0
AlogP:	-0.33	Num_rotatable_bonds:	0
MolWt:	150.12	Num_heavy_atoms:	11
TPSA:	98.49	NumAromaticRings:	1

AD01990

Formula: C31H33O10N2P

Smiles:

Cc1cn(C2CC(OP(=O)(O)O)C(COCc3ccc(OCc4ccccc4)c(OCc4ccccc4)c3)O2)c(=O)[nH]c1=O

HBA:	12	RingCount:	5
HBD:	3	FractionCSP3:	0.29
AlogP:	3.99	Num_rotatable_bonds:	13
MolWt:	624.58	Num_heavy_atoms:	44
TPSA:	158.54	NumAromaticRings:	4

AD13973

Formula: C20H27O16N10P3

Smiles:

Nc1nc(O)c2ncn(C3CC(OP(=O)(O)O)C(COP(=O)(O)OC4CC(n5cnc6c(O)nc(N)nc65)OC4COP(=O)(O)O)O3)c2n1

HBA:	26	RingCount:	6
HBD:	11	FractionCSP3:	0.5
AlogP:	-1.09	Num_rotatable_bonds:	12
MolWt:	756.41	Num_heavy_atoms:	49
TPSA:	387.44	NumAromaticRings:	4