GD018569

Name:

None

Formula:

C32H59O22NS2

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

• CHEMBL2368086

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

AD00026

Formula: C6H13O7S

Smiles:

COCC(CO)(CO)COS(=O)(=O)[O-]

HBA:	7	RingCount:	0
HBD:	2	FractionCSP3:	1.0
AlogP:	-1.92	Num_rotatable_bonds:	7
MolWt:	229.23	Num_heavy_atoms:	14
TPSA:	116.12	NumAromaticRings:	0

AD13078

Formula: C5H11O7S

Smiles:

O=S(=O)([O-])OCC(CO)(CO)CO

HBA:	7	RingCount:	0
HBD:	3	FractionCSP3:	1.0
AlogP:	-2.57	Num_rotatable_bonds:	6
MolWt:	215.2	Num_heavy_atoms:	13
TPSA:	127.12	NumAromaticRings:	0