GD001336

Name:

None

Formula:

C70H90O43S8

Smiles:

O=C([O-])CC(SCCCOCC1OC(OCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C1COCC1OC(COCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C(OCCCSC(CC(=O)[O-])C(=O)[O-])C1OCCCSC(CC(=O)[O-])C(=O)[O-])C(=O)[O-]

Aglycone:

COCCCSC(CC(=O)[O-])C(=O)[O-].COCCCSC(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(SCCCO)C(=O)[O-].O=C([O-])CC(SCCCO)C(=O)[O-].O=C([O-])CC(SCCCO)C(=O)[O-].O=C([O-])CC(SCCCO)C(=O)[O-].O=C([O-])CC(SCCCO)C(=O)[O-].O=C([O-])CC(SCCCO)C(=O)[O-]

Sugarmoiety:

OCC1OC(COCC2C(O)OOC(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL384019

AD00296

Formula: C8H12O5S

Smiles:

COCCCSC(CC(=O)[O-])C(=O)[O-]

HBA:	5	RingCount:	0
HBD:	0	FractionCSP3:	0.75
AlogP:	-1.99	Num_rotatable_bonds:	8
MolWt:	220.25	Num_heavy_atoms:	14
TPSA:	89.49	NumAromaticRings:	0

AD00297

Formula: C7H10O5S

Smiles:

O=C([O-])CC(SCCCO)C(=O)[O-]

HBA:	5	RingCount:	0
HBD:	1	FractionCSP3:	0.71
AlogP:	-2.64	Num_rotatable_bonds:	7
MolWt:	206.22	Num_heavy_atoms:	13
TPSA:	100.49	NumAromaticRings:	0