GD031182

Name:

None

Formula:

C32H39O14N

Smiles:

COc1ccc2cc(C(C)C(=O)OCC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C(C=N[C@H](C(=O)O)[C@H](C)O)OC(C)=O)ccc2c1

Aglycone:

C=NC(C(=O)O)C(C)O.COc1ccc2cc(C(C)C=O)ccc2c1

Sugarmoiety:

CC(=O)OC(O)C(OC(C)=O)C(OC(C)=O)C(COO)OC(C)=O

Other Identifiers

• CHEMBL2262324

AD05269

Formula: C14H14O2

Smiles:

COc1ccc2cc(C(C)C=O)ccc2c1

HBA:	2	RingCount:	2
HBD:	0	FractionCSP3:	0.21
AlogP:	3.15	Num_rotatable_bonds:	3
MolWt:	214.26	Num_heavy_atoms:	16
TPSA:	26.3	NumAromaticRings:	2

AD20106

Formula: C5H9O3N

Smiles:

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

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.6
AlogP:	-0.48	Num_rotatable_bonds:	3
MolWt:	131.13	Num_heavy_atoms:	9
TPSA:	69.89	NumAromaticRings:	0