GD034145

Name:

None

Formula:

C35H38O16S2

Smiles:

COc1cc([C@@H]2c3cc4c(cc3[C@H](SS[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O

Aglycone:

COC(C)=O.COc1cc(C2c3cc4c(cc3C(SS)C3COC(=O)C23)OCO4)cc(OC)c1O

Sugarmoiety:

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

Other Identifiers

• CHEMBL4877938

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

AD17844

Formula: C21H20O7S2

Smiles:

COc1cc(C2c3cc4c(cc3C(SS)C3COC(=O)C23)OCO4)cc(OC)c1O

HBA:	7	RingCount:	5
HBD:	1	FractionCSP3:	0.38
AlogP:	3.69	Num_rotatable_bonds:	4
MolWt:	448.52	Num_heavy_atoms:	30
TPSA:	83.45	NumAromaticRings:	2