GD093633

Name:

None

Formula:

C22H39O9N3

Smiles:

CC(=O)N(C[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O)C[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O

Aglycone:

CC(=O)N(C)C.CC(=O)NC(C)C.CC(=O)NC(C)C

Sugarmoiety:

OC1OC(O)C(O)C1O.OC1OC(O)C(O)C1O

Other Identifiers

• ZINC000008643765

AD11883

Formula: C4H9ON

Smiles:

CC(=O)N(C)C

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.75
AlogP:	0.09	Num_rotatable_bonds:	0
MolWt:	87.12	Num_heavy_atoms:	6
TPSA:	20.31	NumAromaticRings:	0

AD21589

Formula: C5H11ON

Smiles:

CC(=O)NC(C)C

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	0.53	Num_rotatable_bonds:	1
MolWt:	101.15	Num_heavy_atoms:	7
TPSA:	29.1	NumAromaticRings:	0