GD005044

Name:

None

Formula:

C54H84O24

Smiles:

C=C(C)[C@@H]1[C@@H]2C[C@]3(C)C4=CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@@H]8OC[C@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@@]5(C)[C@H]4CC[C@]13C(=O)O2

Aglycone:

C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2

Sugarmoiety:

COC1C(O)COC(OC2C(O)C(CO)OC(OC3C(C)OC(OC4C(O)OCC(O)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)C2O)C1O

Other Identifiers

• CHEMBL451576

AD04322

Formula: C25H36O3

Smiles:

C=C(C)C1C2CC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC13C(=O)O2

HBA:	3	RingCount:	5
HBD:	1	FractionCSP3:	0.8
AlogP:	5.04	Num_rotatable_bonds:	1
MolWt:	384.56	Num_heavy_atoms:	28
TPSA:	46.53	NumAromaticRings:	0