GD111415

Name:

None

Formula:

C35H43O11N3

Smiles:

CC(=O)N[C@H]1[C@H](O/N=C2\C(=O)N(CCCOc3ccc(C(C)(C)C)cc3)c3ccccc32)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:

CC(C)(C)c1ccc(OCCCN2C(=O)C(=NO)c3ccccc32)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000254345008

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

AD44715

Formula: C21H24O3N2

Smiles:

CC(C)(C)c1ccc(OCCCN2C(=O)C(=NO)c3ccccc32)cc1

HBA:	5	RingCount:	3
HBD:	1	FractionCSP3:	0.33
AlogP:	3.98	Num_rotatable_bonds:	5
MolWt:	352.43	Num_heavy_atoms:	26
TPSA:	62.13	NumAromaticRings:	2