GD025980

Name:

None

Formula:

C84H106O30N8

Smiles:

C=CC[C@@H]1O[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3O[C@H](CC=C)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3cn([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)nn3)cc2)[C@H](OCc2cn([C@@H]3O[C@H](CO)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)nn2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1

Aglycone:

O=CNCc1ccc(CNC=O)cc1.OCC1=C[N]N=N1.OCC1=C[N]N=N1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:

C=CCC1OC(O)C(O)C(O)C1O.C=CCC1OC(O)C(O)C(O)C1O.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

• CHEMBL2203662

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

AD02278

Formula: C3H4ON3

Smiles:

OCC1=C[N]N=N1

HBA:	4	RingCount:	1
HBD:	1	FractionCSP3:	0.33
AlogP:	-0.19	Num_rotatable_bonds:	1
MolWt:	98.09	Num_heavy_atoms:	7
TPSA:	59.05	NumAromaticRings:	0

AD17165

Formula: C10H12O2N2

Smiles:

O=CNCc1ccc(CNC=O)cc1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.2
AlogP:	0.18	Num_rotatable_bonds:	6
MolWt:	192.22	Num_heavy_atoms:	14
TPSA:	58.2	NumAromaticRings:	1