GD006729

Name:

None

Formula:

C36H60O16

Smiles:

CC(C)CC(=O)OC[C@]1(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2OC(=O)CC(C)C)O[C@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@H]1OC(=O)CC(C)C

Aglycone:

CC(C)CC(=O)O.CC(C)CC(=O)O.CC(C)CC(=O)O.CC(C)CC(=O)O.COC(=O)CC(C)C

Sugarmoiety:

OCC1OC(OC2(CO)OC(O)C(O)O2)C(O)C(O)C1O

Other Identifiers

• CHEMBL1159499

AD00281

Formula: C5H10O2

Smiles:

CC(C)CC(=O)O

HBA:	2	RingCount:	0
HBD:	1	FractionCSP3:	0.8
AlogP:	1.12	Num_rotatable_bonds:	2
MolWt:	102.13	Num_heavy_atoms:	7
TPSA:	37.3	NumAromaticRings:	0

AD01663

Formula: C6H12O2

Smiles:

COC(=O)CC(C)C

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.83
AlogP:	1.21	Num_rotatable_bonds:	2
MolWt:	116.16	Num_heavy_atoms:	8
TPSA:	26.3	NumAromaticRings:	0