GD154605

Name:

maculansin a

Formula:

C22H28O10N2

Smiles:

CC(=O)OCC(OC(=O)C(C#N)=C(C)C)C(O)C(O)C(COC(C)=O)OC(=O)C(C#N)=C(C)C

Aglycone:

CC(C)=C(C#N)C=O.CC(C)=C(C#N)C=O

Sugarmoiety:

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

Other Identifiers

• CNP0475212

AD61386

Formula: C6H7ON

Smiles:

CC(C)=C(C#N)C=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.33
AlogP:	1.05	Num_rotatable_bonds:	1
MolWt:	109.13	Num_heavy_atoms:	8
TPSA:	40.86	NumAromaticRings:	0