GD021124

Name:

None

Formula:

C37H52O14N10

Smiles:

CC(=O)N[C@H]1[C@H](OCC(=O)N[C@H](C)C(=O)N[C@H](CCC(=O)NCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(N)=O)[C@@H](O)[C@@H](CO)O[C@H]1OCc1ccccc1

Aglycone:

CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O.OCc1ccccc1

Sugarmoiety:

CC(=O)NC1C(O)OC(CO)C(O)C1O.OCC1OC(O)C(O)C1O

Other Identifiers

• CHEMBL3315302

AD00044

Formula: C7H8O

Smiles:

OCc1ccccc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.18	Num_rotatable_bonds:	1
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1

AD14482

Formula: C17H24O5N9

Smiles:

CC(NC(=O)CO)C(=O)NC(CCC(=O)NCCNc1ncnc2c1N=C[N]2)C(N)=O

HBA:	14	RingCount:	2
HBD:	7	FractionCSP3:	0.47
AlogP:	-2.84	Num_rotatable_bonds:	12
MolWt:	434.44	Num_heavy_atoms:	31
TPSA:	214.89	NumAromaticRings:	1