GD140563

Name:

Midecamycin A3

Formula:

C41H65O15N

Smiles:

CCC(=O)OC1CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(N(C)C)C2O)C1OC

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

• CNP0159008

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

AD47887

Formula: C23H34O8

Smiles:

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

HBA:	8	RingCount:	1
HBD:	1	FractionCSP3:	0.65
AlogP:	2.32	Num_rotatable_bonds:	5
MolWt:	438.52	Num_heavy_atoms:	31
TPSA:	116.2	NumAromaticRings:	0