GD002696

Name:

Myoxam

Formula:

C41H67O15N

Smiles:

CCC(=O)O[C@@H]1CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](OC(=O)CC)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@H]1OC

Aglycone:

CCC(=O)O.CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OC

Sugarmoiety:

CC1OC(O)C(O)C(N(C)C)C1OC1CC(C)(O)C(O)C(C)O1

Other Identifiers

• CHEMBL1436846
• CNP0250246

AD00155

Formula: C3H6O2

Smiles:

CCC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.67
AlogP:	0.48	Num_rotatable_bonds:	1
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	37.3	NumAromaticRings:	0

AD02541

Formula: C23H36O8

Smiles:

CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(O)C1OC

HBA:	8	RingCount:	1
HBD:	2	FractionCSP3:	0.7
AlogP:	2.11	Num_rotatable_bonds:	5
MolWt:	440.53	Num_heavy_atoms:	31
TPSA:	119.36	NumAromaticRings:	0