GD009309

Name:

None

Formula:

C55H72O29

Smiles:

CC(C)C[C@@](CC(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OC(=O)C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1

Aglycone:

CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4854348
• CHEMBL4877888

AD00021

Formula: C9H8O3

Smiles:

O=C(O)C=Cc1ccc(O)cc1

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.0
AlogP:	1.49	Num_rotatable_bonds:	2
MolWt:	164.16	Num_heavy_atoms:	12
TPSA:	57.53	NumAromaticRings:	1

AD07301

Formula: C22H26O7

Smiles:

CC(C)CC(O)(CC(=O)OCc1ccc(O)cc1)C(=O)OCc1ccc(O)cc1

HBA:	7	RingCount:	2
HBD:	3	FractionCSP3:	0.36
AlogP:	3.05	Num_rotatable_bonds:	9
MolWt:	402.44	Num_heavy_atoms:	29
TPSA:	113.29	NumAromaticRings:	2