GD009179

Name:

None

Formula:

C25H26O14N2

Smiles:

CC(=O)OC[C@@H]1O[C@H](Oc2ccc(C=C3C(=O)NC(=O)NC3=O)c(O)c2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1NC(=O)C(=Cc2ccc(O)cc2O)C(=O)N1

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL551669

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD07220

Formula: C11H8O5N2

Smiles:

O=C1NC(=O)C(=Cc2ccc(O)cc2O)C(=O)N1

HBA:	7	RingCount:	2
HBD:	4	FractionCSP3:	0.0
AlogP:	-0.15	Num_rotatable_bonds:	1
MolWt:	248.19	Num_heavy_atoms:	18
TPSA:	115.73	NumAromaticRings:	1