GD014940

Name:

None

Formula:

C32H61O22NS2

Smiles:

CCCCCCCCO[C@@H]1O[C@H](COCC(CO)(CO)COS(=O)(=O)O)[C@H](OCC(CO)(CO)COS(=O)(=O)O)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O

Aglycone:

CCCCCCCCO.COCC(CO)(CO)COS(=O)(=O)O.O=S(=O)(O)OCC(CO)(CO)CO

Sugarmoiety:

CC(=O)NC1C(O)OC(O)C(O)C1OC1OC(C)C(O)C(O)C1O

Other Identifiers

• CHEMBL3039933

AD00023

Formula: C8H18O

Smiles:

CCCCCCCCO

HBA:	1	RingCount:	0
HBD:	1	FractionCSP3:	1.0
AlogP:	2.34	Num_rotatable_bonds:	6
MolWt:	130.23	Num_heavy_atoms:	9
TPSA:	20.23	NumAromaticRings:	0

AD03507

Formula: C6H14O7S

Smiles:

COCC(CO)(CO)COS(=O)(=O)O

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-1.58	Num_rotatable_bonds:	7
MolWt:	230.24	Num_heavy_atoms:	14
TPSA:	113.29	NumAromaticRings:	0

AD10933

Formula: C5H12O7S

Smiles:

O=S(=O)(O)OCC(CO)(CO)CO

HBA:	7	RingCount:	0
HBD:	4	FractionCSP3:	1.0
AlogP:	-2.23	Num_rotatable_bonds:	6
MolWt:	216.21	Num_heavy_atoms:	13
TPSA:	124.29	NumAromaticRings:	0