GD127484

Name:

Amycolamicin

Formula:

C46H60O14N4Cl2

Smiles:

C=C1CCC(OC2CC(O)(C(C)N=C(O)c3[nH]c(C)c(Cl)c3Cl)C(O)C(C)O2)C2C=CC(C)C(C(O)=C3C(=O)C(C(C)C)N(C4OC(C)C(OC(=N)O)C(OC(C)=O)C4OC)C3=O)C12

Aglycone:

C=C1CCC(O)C2C=CC(C)C(C(O)=C3C(=O)NC(C(C)C)C3=O)C12.CCN=C(O)c1[nH]c(C)c(Cl)c1Cl

Sugarmoiety:

CC1OC(O)CC(O)(O)C1O.COC1C(O)OC(C)C(OC(=N)O)C1OC(C)=O

Other Identifiers

• CNP0129270

AD04469

Formula: C20H27O4N

Smiles:

C=C1CCC(O)C2C=CC(C)C(C(O)=C3C(=O)NC(C(C)C)C3=O)C12

HBA:	5	RingCount:	3
HBD:	3	FractionCSP3:	0.6
AlogP:	2.29	Num_rotatable_bonds:	2
MolWt:	345.44	Num_heavy_atoms:	25
TPSA:	86.63	NumAromaticRings:	0

AD51629

Formula: C10H10ON2Cl2

Smiles:

CCN=C(O)c1[nH]c(C)c(Cl)c1Cl

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.38
AlogP:	2.95	Num_rotatable_bonds:	2
MolWt:	221.09	Num_heavy_atoms:	13
TPSA:	48.38	NumAromaticRings:	1