GD018619

Name:

None

Formula:

C48H72O14F2

Smiles:

CCC(C)[C@@H]1O[C@]2(C[C@@H]3C[C@H](CC=C(C)[C@H](O[C@@H]4C[C@H](OC)[C@H](O[C@@H]5C[C@H](OC)[C@H](O)[C@H](C)O5)[C@H](C)O4)[C@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@H](C(=O)O3)[C@]45O)O2)CC(F)(F)[C@H]1C

Aglycone:

CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(F)(F)C1C

Sugarmoiety:

COC1CC(OC2C(C)OC(O)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL332989

AD13103

Formula: C34H48O8F2

Smiles:

CCC(C)C1OC2(CC3CC(CC=C(C)C(O)C(C)C=CC=C4COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)CC(F)(F)C1C

HBA:	8	RingCount:	5
HBD:	3	FractionCSP3:	0.74
AlogP:	4.78	Num_rotatable_bonds:	2
MolWt:	622.75	Num_heavy_atoms:	44
TPSA:	114.68	NumAromaticRings:	0