GD025970

Name:

None

Formula:

C82H102O30N8

Smiles:

O=C1NCc2ccc(cc2)CNC(=O)[C@@H]2O[C@H](CC=CC[C@@H]3O[C@H]1[C@H](OCc1cn([C@@H]4O[C@H](CO)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)nn1)[C@H](OCc1ccccc1)[C@H]3OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H]2OCc1cn([C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)nn1

Aglycone:

O=C1NCc2ccc(cc2)CNC(=O)C2OC(CC=CCC3OC1C(OCC1=C[N]N=N1)C(OCc1ccccc1)C3OCc1ccccc1)C(OCc1ccccc1)C(OCc1ccccc1)C2OCC1=C[N]N=N1

Sugarmoiety:

OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2203663

AD17159

Formula: C58H60O10N8

Smiles:

O=C1NCc2ccc(cc2)CNC(=O)C2OC(CC=CCC3OC1C(OCC1=C[N]N=N1)C(OCc1ccccc1)C3OCc1ccccc1)C(OCc1ccccc1)C(OCc1ccccc1)C2OCC1=C[N]N=N1

HBA:	18	RingCount:	11
HBD:	2	FractionCSP3:	0.34
AlogP:	7.57	Num_rotatable_bonds:	18
MolWt:	1029.16	Num_heavy_atoms:	76
TPSA:	209.68	NumAromaticRings:	5