GD109876

Name:

None

Formula:

C31H35O14N

Smiles:

CCOC(=O)c1ccc(NC(=O)c2ccc(O[C@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)c(OC)c2)cc1

Aglycone:

CCOC(=O)c1ccc(NC(=O)c2ccc(O)c(OC)c2)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• ZINC000008431866

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

AD44584

Formula: C17H17O5N

Smiles:

CCOC(=O)c1ccc(NC(=O)c2ccc(O)c(OC)c2)cc1

HBA:	6	RingCount:	2
HBD:	2	FractionCSP3:	0.18
AlogP:	2.83	Num_rotatable_bonds:	5
MolWt:	315.33	Num_heavy_atoms:	23
TPSA:	84.86	NumAromaticRings:	2