GD108844

Name:

None

Formula:

C26H33O10N3

Smiles:

CCCN1C(=O)/C(=N\O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)c2cc(C)ccc21

Aglycone:

CCCN1C(=O)C(=NO)c2cc(C)ccc21.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000245241949

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

AD44470

Formula: C12H14O2N2

Smiles:

CCCN1C(=O)C(=NO)c2cc(C)ccc21

HBA:	4	RingCount:	2
HBD:	1	FractionCSP3:	0.33
AlogP:	1.93	Num_rotatable_bonds:	2
MolWt:	218.26	Num_heavy_atoms:	16
TPSA:	52.9	NumAromaticRings:	1