GD020212

Name:

None

Formula:

C42H72O55S9

Smiles:

CCCCO[C@@H]1[C@H](OS(=O)(=O)O)[C@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@@H](O[C@H]3[C@H](COS(=O)(=O)O)O[C@@H](O[C@@H]4[C@H](OC)[C@H](OS(=O)(=O)O)[C@H](O[C@H]5[C@H](COS(=O)(=O)O)O[C@@H](OC)[C@@H](OS(=O)(=O)O)[C@H]5OS(=O)(=O)O)O[C@H]4C(=O)O)[C@@H](OS(=O)(=O)O)[C@H]3OS(=O)(=O)O)O[C@H]2C(=O)O)O[C@H](COS(=O)(=O)O)[C@H]1OCCCC

Aglycone:

CCCCO.CCCCO.COS(=O)(=O)O.COS(=O)(=O)O.COS(=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.O=S(=O)(O)O

Sugarmoiety:

CCCCOOOC(O)OOOC1C(C(=O)O)OC(OC2C(O)OC(OC3C(C(=O)O)OC(OC4C(O)OC(OC)C(O)C4O)C(O)C3OC)C(O)C2O)C(OC)C1OC

Other Identifiers

• CHEMBL2029163

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

AD00936

Formula: C4H10O

Smiles:

CCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	0.78	Num_rotatable_bonds:	2
MolWt:	74.12	Num_heavy_atoms:	5
TPSA:	20.23	NumAromaticRings:	0