GD011731

Name:

None

Formula:

C47H51O18N8P3

Smiles:

Nc1ccn([C@@H]2C[C@H](OP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)C[C@H]3OP(=O)(O)O)[C@H](COP(=O)(O)O[C@@H]3C[C@H](OCCCc4ccc5c6cccc7cccc(c8cccc4c85)c76)O[C@H]3CO)O2)c(=O)n1

Aglycone:

Nc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)O)C(COP(=O)(O)O)O2)c(=O)n1.OCCCc1ccc2c3cccc4cccc(c5cccc1c52)c43

Sugarmoiety:

OCC1OC(O)CC1O

Other Identifiers

• CHEMBL1092364

AD08932

Formula: C19H27O15N8P3

Smiles:

Nc1ccn(C2CC(OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)CC3OP(=O)(O)O)C(COP(=O)(O)O)O2)c(=O)n1

HBA:	23	RingCount:	5
HBD:	9	FractionCSP3:	0.53
AlogP:	-1.09	Num_rotatable_bonds:	12
MolWt:	700.39	Num_heavy_atoms:	45
TPSA:	338.27	NumAromaticRings:	3

AD08933

Formula: C23H18O

Smiles:

OCCCc1ccc2c3cccc4cccc(c5cccc1c52)c43

HBA:	1	RingCount:	5
HBD:	1	FractionCSP3:	0.13
AlogP:	5.66	Num_rotatable_bonds:	3
MolWt:	310.4	Num_heavy_atoms:	24
TPSA:	20.23	NumAromaticRings:	5