GD007357

Name:

None

Formula:

C70H100O42

Smiles:

CCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)[C@H]3OC(C)=O)[C@H]2OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CCCCCCCCO.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O.COC(C)=O

Sugarmoiety:

CC(=O)OCC1OC(OC2C(OC(C)=O)C(COC(C)=O)OC(OC3C(OC(C)=O)C(COC(C)=O)OC(OC4OC(O)OC(OC5OOC(O)OC5O)C4OC(C)=O)C3OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL412087

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

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