GD008106

Name:

None

Formula:

C30H40O14N2S

Smiles:

COC(=O)CC=C[C@H](C)[C@H](C=NO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)NS(=O)(=O)c1ccc(C)cc1

Aglycone:

COC(=O)CC=CC(C)C(C=NO)NS(=O)(=O)c1ccc(C)cc1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL1554803

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

AD06517

Formula: C16H22O5N2S

Smiles:

COC(=O)CC=CC(C)C(C=NO)NS(=O)(=O)c1ccc(C)cc1

HBA:	7	RingCount:	1
HBD:	2	FractionCSP3:	0.38
AlogP:	1.86	Num_rotatable_bonds:	8
MolWt:	354.43	Num_heavy_atoms:	24
TPSA:	105.06	NumAromaticRings:	1