GD015460

Name:

None

Formula:

C33H39O15N

Smiles:

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

Aglycone:

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

• CHEMBL2262330

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

AD11230

Formula: C6H9O4N

Smiles:

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

HBA:	5	RingCount:	0
HBD:	2	FractionCSP3:	0.5
AlogP:	0.01	Num_rotatable_bonds:	5
MolWt:	159.14	Num_heavy_atoms:	11
TPSA:	86.96	NumAromaticRings:	0