GD013425

Name:

None

Formula:

C50H72O21

Smiles:

CCCCCC=CC=CC(=O)OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](c3c(O)cc(O)cc3CO)[C@H](O)[C@H]2OC(=O)C=CC=CC[C@H](O)C=CC=CCCCCC)[C@H](O[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

Aglycone:

CCCCCC=CC=CC(=O)OC.CCCCCC=CC=CC(O)CC=CC=CC(=O)O.OCc1cc(O)cc(O)c1

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1OC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL216540

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

AD10019

Formula: C11H18O2

Smiles:

CCCCCC=CC=CC(=O)OC

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.55
AlogP:	2.85	Num_rotatable_bonds:	6
MolWt:	182.26	Num_heavy_atoms:	13
TPSA:	26.3	NumAromaticRings:	0