GD033250

Name:

None

Formula:

C35H50O36N2S4

Smiles:

COc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](O[C@@H]4O[C@H](C(=O)O)[C@H](O[C@@H]5O[C@H](COS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)cc1

Aglycone:

COS(=O)(=O)O.COS(=O)(=O)O.COc1ccc(O)cc1.O=S(=O)(O)O.O=S(=O)(O)O

Sugarmoiety:

CC(=O)NC1C(OC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3NC(C)=O)C(O)C2O)OC(O)OC1OC1C(C(=O)O)OC(O)C(O)C1O

Other Identifiers

• CHEMBL4213376

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

AD00053

Formula: CH4O4S

Smiles:

COS(=O)(=O)O

HBA:	4	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	-0.56	Num_rotatable_bonds:	1
MolWt:	112.11	Num_heavy_atoms:	6
TPSA:	63.6	NumAromaticRings:	0

AD01111

Formula: C7H8O2

Smiles:

COc1ccc(O)cc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.4	Num_rotatable_bonds:	1
MolWt:	124.14	Num_heavy_atoms:	9
TPSA:	29.46	NumAromaticRings:	1