GD017247

Name:

None

Formula:

C57H96O26N18

Smiles:

NC[C@@H]1O[C@H](O[C@@H]2[C@H](Cn3cc(-c4cc(C(=O)O)cc(-c5cn(C[C@@H]6O[C@H](O[C@H]7[C@H](O[C@@H]8O[C@H](CN)[C@H](O)[C@H](O)[C@H]8N)[C@@H](N)C[C@@H](N)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CN)[C@H](O)[C@H](O)[C@H]6N)nn5)c4)nn3)O[C@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CN)[C@H](O)[C@H](O)[C@H]4N)[C@@H](N)C[C@@H](N)[C@H]3O)[C@H]2O)[C@H](N)[C@H](O)[C@H]1O

Aglycone:

Cn1cc(-c2cc(C(=O)O)cc(-c3cn(C)nn3)c2)nn1.NC1CC(N)C(O)C(O)C1O.NC1CC(N)C(O)C(O)C1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4299303
• CHEMBL4302740

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

AD12329

Formula: C13H12O2N6

Smiles:

Cn1cc(-c2cc(C(=O)O)cc(-c3cn(C)nn3)c2)nn1

HBA:	8	RingCount:	3
HBD:	1	FractionCSP3:	0.15
AlogP:	0.98	Num_rotatable_bonds:	3
MolWt:	284.28	Num_heavy_atoms:	21
TPSA:	98.72	NumAromaticRings:	3