GD146453

Name:

Niddamycin

Formula:

C40H65O14N

Smiles:

COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C1OC1OC(C)C(OC2CC(C)(O)C(OC(=O)CC(C)C)C(C)O2)C(N(C)C)C1O

Aglycone:

CC(C)CC(=O)O.COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C1O

Sugarmoiety:

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

Other Identifiers

• CNP0343241

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD57739

Formula: C20H30O7

Smiles:

COC1C(O)CC(=O)OC(C)CC=CC=CC(=O)C(C)CC(CC=O)C1O

HBA:	7	RingCount:	1
HBD:	2	FractionCSP3:	0.65
AlogP:	1.36	Num_rotatable_bonds:	3
MolWt:	382.45	Num_heavy_atoms:	27
TPSA:	110.13	NumAromaticRings:	0