GD027888

Name:

None

Formula:

C31H27O13N2ClS

Smiles:

CC(=O)OC[C@@H]1O[C@H](N2C(=O)C(=C3C(=O)Nc4ccc(S(=O)(=O)Cl)cc43)c3ccccc32)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.O=C1Nc2ccccc2C1=C1C(=O)Nc2ccc(S(=O)(=O)Cl)cc21

Sugarmoiety:

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

Other Identifiers

• CHEMBL504749

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

AD18285

Formula: C17H9O4N2ClS

Smiles:

O=C1Nc2ccccc2C1=C1C(=O)Nc2ccc(S(=O)(=O)Cl)cc21

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.0
AlogP:	2.43	Num_rotatable_bonds:	1
MolWt:	360.78	Num_heavy_atoms:	24
TPSA:	92.34	NumAromaticRings:	2