GD119495

Name:

maculansin a

Formula:

C22H32O10N2

Smiles:

C=NC(C(=O)OC(COC(C)=O)C(O)C(O)C(COC(C)=O)OC(=O)C(N=C)=C(C)C)=C(C)C

Aglycone:

C=NC(C=O)=C(C)C.C=NC(C=O)=C(C)C

Sugarmoiety:

CC(=O)OCC(OO)C(O)C(O)C(COC(C)=O)OO

Other Identifiers

• CNP0442157

AD47885

Formula: C6H9ON

Smiles:

C=NC(C=O)=C(C)C

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.33
AlogP:	1.18	Num_rotatable_bonds:	2
MolWt:	111.14	Num_heavy_atoms:	8
TPSA:	29.43	NumAromaticRings:	0