GD006171

Name:

None

Formula:

C45H68O16

Smiles:

CC(C)(C)C(=O)OCC1=C[C@H](OC(=O)C(C)(C)C)C2=CC(=O)O[C@H](O[C@@H]3O[C@H](COC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]3OC(=O)C(C)(C)C)[C@H]12

Aglycone:

CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.CC(C)(C)C(=O)OCC1=CC(OC(=O)C(C)(C)C)C2=CC(=O)OC(O)C12.COC(=O)C(C)(C)C

Sugarmoiety:

OCC1OC(O)OC(O)C1O

Other Identifiers

• CHEMBL1165672

AD03091

Formula: C5H10O2

Smiles:

CC(C)(C)C(=O)O

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

AD03093

Formula: C6H12O2

Smiles:

COC(=O)C(C)(C)C

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

AD05129

Formula: C19H26O7

Smiles:

CC(C)(C)C(=O)OCC1=CC(OC(=O)C(C)(C)C)C2=CC(=O)OC(O)C12

HBA:	7	RingCount:	2
HBD:	1	FractionCSP3:	0.63
AlogP:	1.89	Num_rotatable_bonds:	3
MolWt:	366.41	Num_heavy_atoms:	26
TPSA:	99.13	NumAromaticRings:	0