GD021917

Name:

None

Formula:

C34H55O14N7

Smiles:

NC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2OCCNc2cnc3ccccc3c2)[C@H](N)[C@H](O)[C@H]1O

Aglycone:

NC1CC(N)C(O)C(O)C1O.OCCNc1cnc2ccccc2c1

Sugarmoiety:

NC1C(O)OC(CO)C(O)C1O.NCC1OC(OC2C(CO)OC(O)C2O)C(N)C(O)C1O

Other Identifiers

• CHEMBL409567

AD00009

Formula: C6H14O3N2

Smiles:

NC1CC(N)C(O)C(O)C1O

HBA:	5	RingCount:	1
HBD:	7	FractionCSP3:	1.0
AlogP:	-2.87	Num_rotatable_bonds:	0
MolWt:	162.19	Num_heavy_atoms:	11
TPSA:	112.73	NumAromaticRings:	0

AD14915

Formula: C11H12ON2

Smiles:

OCCNc1cnc2ccccc2c1

HBA:	3	RingCount:	2
HBD:	2	FractionCSP3:	0.18
AlogP:	1.64	Num_rotatable_bonds:	3
MolWt:	188.23	Num_heavy_atoms:	14
TPSA:	45.15	NumAromaticRings:	2