GD113717

Name:

None

Formula:

C42H42O11

Smiles:

Cc1ccc(C(=O)OC[C@@H]2O[C@H](O[C@H]3C[C@@H](OC(=O)c4ccc(C)cc4)[C@H](COC(=O)c4ccc(C)cc4)O3)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1

Aglycone:

COC(=O)c1ccc(C)cc1.COC(=O)c1ccc(C)cc1.Cc1ccc(C(=O)O)cc1.Cc1ccc(C(=O)O)cc1

Sugarmoiety:

OCC1OCC(OC2CC(O)C(O)O2)O1

Other Identifiers

• ZINC000150374795

AD00492

Formula: C8H8O2

Smiles:

Cc1ccc(C(=O)O)cc1

HBA:	2	RingCount:	1
HBD:	1	FractionCSP3:	0.12
AlogP:	1.69	Num_rotatable_bonds:	1
MolWt:	136.15	Num_heavy_atoms:	10
TPSA:	37.3	NumAromaticRings:	1

AD04171

Formula: C9H10O2

Smiles:

COC(=O)c1ccc(C)cc1

HBA:	2	RingCount:	1
HBD:	0	FractionCSP3:	0.22
AlogP:	1.78	Num_rotatable_bonds:	1
MolWt:	150.18	Num_heavy_atoms:	11
TPSA:	26.3	NumAromaticRings:	1