GD028117

Name:

None

Formula:

C28H34O15

Smiles:

C#CCOC(=O)C[C@@H]1C(C(=O)OC)=CO[C@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)C1=CC

Aglycone:

C#CCOC(=O)CC1C(C(=O)OC)=COC(O)C1=CC.COC(C)=O

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL4168029

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

AD18408

Formula: C14H16O6

Smiles:

C#CCOC(=O)CC1C(C(=O)OC)=COC(O)C1=CC

HBA:	6	RingCount:	1
HBD:	1	FractionCSP3:	0.43
AlogP:	0.52	Num_rotatable_bonds:	4
MolWt:	280.28	Num_heavy_atoms:	20
TPSA:	82.06	NumAromaticRings:	0