GD004736

Name:

None

Formula:

C30H34O10NClS2

Smiles:

CC(=O)OC[C@@H]1O[C@H](SC(=S)C2=C(Nc3ccc(Cl)cc3)CC(C)(C)CC2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC1(C)CC(=O)C(C(=S)S)=C(Nc2ccc(Cl)cc2)C1.COC(C)=O

Sugarmoiety:

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

Other Identifiers

• CHEMBL2031632

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

AD04094

Formula: C16H16ONClS2

Smiles:

CC1(C)CC(=O)C(C(=S)S)=C(Nc2ccc(Cl)cc2)C1

HBA:	2	RingCount:	2
HBD:	1	FractionCSP3:	0.33
AlogP:	4.65	Num_rotatable_bonds:	3
MolWt:	325.89	Num_heavy_atoms:	20
TPSA:	29.1	NumAromaticRings:	1