GD012968

Name:

None

Formula:

C31H37O13NS

Smiles:

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

Aglycone:

C=NC(CS)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

• CHEMBL2262322

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

AD09733

Formula: C4H7O2NS

Smiles:

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

HBA:	3	RingCount:	0
HBD:	1	FractionCSP3:	0.5
AlogP:	0.07	Num_rotatable_bonds:	3
MolWt:	133.17	Num_heavy_atoms:	8
TPSA:	49.66	NumAromaticRings:	0