GD016557

Name:

WILFOSIDE C1N

Formula:

C56H90O19

Smiles:

CO[C@H]1C[C@@H](O[C@@H]2[C@H](C)O[C@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@H]4[C@H](C)O[C@@H](O[C@@H]5CC[C@]6(C)C(=CC[C@]7(O)[C@H]6C[C@H](OC(=O)C=C(C)C(C)C)[C@]6(C)[C@](O)(C(C)=O)CC[C@]76O)C5)C[C@H]4OC)C[C@H]3OC)C[C@@H]2OC)O[C@@H](C)[C@H]1O

Aglycone:

CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C

Sugarmoiety:

COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(C)OC(O)CC4OC)CC3OC)CC2OC)OC(C)C1O

Other Identifiers

• CHEMBL2228801
• CHEMBL4225151
• CNP0247040

AD11904

Formula: C28H42O7

Smiles:

CC(=O)C1(O)CCC2(O)C3(O)CC=C4CC(O)CCC4(C)C3CC(OC(=O)C=C(C)C(C)C)C12C

HBA:	7	RingCount:	4
HBD:	4	FractionCSP3:	0.79
AlogP:	2.98	Num_rotatable_bonds:	4
MolWt:	490.64	Num_heavy_atoms:	35
TPSA:	124.29	NumAromaticRings:	0