GD108957

Name:

None

Formula:

C31H35O11N3

Smiles:

CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1O/N=C1\C(=O)N(CCOc2ccc(C)cc2)c2ccccc21

Aglycone:

COC(C)=O.Cc1ccc(OCCN2C(=O)C(=NO)c3ccccc32)cc1

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• ZINC000101098925

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD44468

Formula: C17H16O3N2

Smiles:

Cc1ccc(OCCN2C(=O)C(=NO)c3ccccc32)cc1

HBA:	5	RingCount:	3
HBD:	1	FractionCSP3:	0.18
AlogP:	2.6	Num_rotatable_bonds:	4
MolWt:	296.33	Num_heavy_atoms:	22
TPSA:	62.13	NumAromaticRings:	2