GD007908

Name:

None

Formula:

C54H72O27S6

Smiles:

CC(=O)OC[C@@H]1O[C@H](SSCc2c(C)c(CSS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(C)c(CSS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

COC(C)=O.COC(C)=O.COC(C)=O.Cc1c(CSS)c(C)c(CSS)c(C)c1CSS

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1OC(O)OC(O)C1OC(C)=O.CC(=O)OCC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL2018430

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

AD01750

Formula: C12H18S6

Smiles:

Cc1c(CSS)c(C)c(CSS)c(C)c1CSS

HBA:	0	RingCount:	1
HBD:	0	FractionCSP3:	0.5
AlogP:	5.85	Num_rotatable_bonds:	6
MolWt:	354.68	Num_heavy_atoms:	18
TPSA:	0.0	NumAromaticRings:	1