GD016155

Name:

None

Formula:

C62H84O22

Smiles:

CCCCCC=CC=C[C@H](O)CC=CC=CC(=O)O[C@@H]1[C@H](O)[C@H](c2c(O)cc(O)cc2CO)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](COC(=O)c2ccc(-c3ccc(OCCCCCCCC)cc3)cc2)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CCCCCC=CC=CC(O)CC=CC=CC(=O)O.CCCCCCCCOc1ccc(-c2ccc(C(=O)OC)cc2)cc1.OCc1cc(O)cc(O)c1

Sugarmoiety:

OCC1OC(OC2C(OC3C(CO)OC(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL427754

AD00088

Formula: C16H24O3

Smiles:

CCCCCC=CC=CC(O)CC=CC=CC(=O)O

HBA:	3	RingCount:	0
HBD:	2	FractionCSP3:	0.44
AlogP:	3.63	Num_rotatable_bonds:	10
MolWt:	264.36	Num_heavy_atoms:	19
TPSA:	57.53	NumAromaticRings:	0

AD00090

Formula: C7H8O3

Smiles:

OCc1cc(O)cc(O)c1

HBA:	3	RingCount:	1
HBD:	3	FractionCSP3:	0.14
AlogP:	0.59	Num_rotatable_bonds:	1
MolWt:	140.14	Num_heavy_atoms:	10
TPSA:	60.69	NumAromaticRings:	1

AD11669

Formula: C22H28O3

Smiles:

CCCCCCCCOc1ccc(-c2ccc(C(=O)OC)cc2)cc1

HBA:	3	RingCount:	2
HBD:	0	FractionCSP3:	0.41
AlogP:	5.88	Num_rotatable_bonds:	10
MolWt:	340.46	Num_heavy_atoms:	25
TPSA:	35.53	NumAromaticRings:	2