GD024661

Name:

None

Formula:

C28H34O33S6

Smiles:

COc1ccc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](C)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]4OS(=O)(=O)O)cc3O2)cc1O

Aglycone:

COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1651410

AD00034

Formula: H2O4S

Smiles:

O=S(=O)(O)O

HBA:	4	RingCount:	0
HBD:	2	FractionCSP3:	0.0
AlogP:	-0.65	Num_rotatable_bonds:	0
MolWt:	98.08	Num_heavy_atoms:	5
TPSA:	74.6	NumAromaticRings:	0

AD03897

Formula: C16H14O6

Smiles:

COc1ccc(C2CC(=O)c3c(O)cc(O)cc3O2)cc1O

HBA:	6	RingCount:	3
HBD:	3	FractionCSP3:	0.19
AlogP:	2.52	Num_rotatable_bonds:	2
MolWt:	302.28	Num_heavy_atoms:	22
TPSA:	96.22	NumAromaticRings:	2