GD001782

Name:

None

Formula:

C57H78O27S6

Smiles:

CCc1c(CSS[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(CC)c(CSS[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)c(CC)c1CSS[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CCc1c(CSS)c(CC)c(CSS)c(CC)c1CSS.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OC1OOC(O)OC1O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL2018432
• CHEMBL2018434

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

AD01749

Formula: C15H24S6

Smiles:

CCc1c(CSS)c(CC)c(CSS)c(CC)c1CSS

HBA:	0	RingCount:	1
HBD:	0	FractionCSP3:	0.6
AlogP:	6.61	Num_rotatable_bonds:	9
MolWt:	396.76	Num_heavy_atoms:	21
TPSA:	0.0	NumAromaticRings:	1