GD129503

Name:

Liposidomycin M-(Iii)

Formula:

C44H71O18N5

Smiles:

CCCCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(OC2OC(CN)C(O)C2O)C2OC(n3ccc(O)nc3=O)C(O)C2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O

Aglycone:

CCCCCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O.O=c1nc(O)cc[nH]1

Sugarmoiety:

NCC1OC(OOC2OC(O)C(O)C2O)C(O)C1O

Other Identifiers

• CNP0415199

AD09580

Formula: C31H54O10N2

Smiles:

CCCCCCCCCCCCCC(CC(=O)OC1CN(C)C(CO)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O

HBA:	12	RingCount:	1
HBD:	3	FractionCSP3:	0.84
AlogP:	3.62	Num_rotatable_bonds:	22
MolWt:	614.78	Num_heavy_atoms:	43
TPSA:	170.98	NumAromaticRings:	0

AD15478

Formula: C4H4O2N2

Smiles:

O=c1nc(O)cc[nH]1

HBA:	4	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.52	Num_rotatable_bonds:	0
MolWt:	112.09	Num_heavy_atoms:	8
TPSA:	65.98	NumAromaticRings:	1