GD017882

Name:

None

Formula:

C83H99O40N27P6

Smiles:

Cc1cn([C@@H]2C[C@H](OP(=O)(O)O[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)[nH]c(N)nc54)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c4N=CNC5N)C[C@H]3OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(=O)n(C)c(N)nc54)C[C@H]3OP(=O)(O)OCCO)[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.Cn1c(N)nc2c(ncn2C2CC(OP(=O)(O)OCCO)C(COP(=O)(O)OC3CC(n4cnc5c4N=CNC5N)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)O)O2)c1=O.Nc1nc2c(c(=O)[nH]1)N=C[N]2

Sugarmoiety:

OC1CC(O)C(O)O1

Other Identifiers

• CHEMBL1160378

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

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

AD12711

Formula: C43H59O28N20P5

Smiles:

Cn1c(N)nc2c(ncn2C2CC(OP(=O)(O)OCCO)C(COP(=O)(O)OC3CC(n4cnc5c4N=CNC5N)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)OC3CC(n4cnc5c(=O)[nH]c(N)nc54)OC3COP(=O)(O)O)O2)c1=O

HBA:	48	RingCount:	12
HBD:	18	FractionCSP3:	0.56
AlogP:	-2.48	Num_rotatable_bonds:	27
MolWt:	1458.93	Num_heavy_atoms:	96
TPSA:	673.09	NumAromaticRings:	7