GD026226

Name:

None

Formula:

C53H80O16

Smiles:

CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1

Aglycone:

CC1(C)CCC2(C(=O)OCc3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:

OCC1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1OC1OCC(O)C(O)C1O

Other Identifiers

• CHEMBL4072674
• CHEMBL4098664
• CHEMBL4099577

AD04251

Formula: C37H54O3

Smiles:

CC1(C)CCC2(C(=O)OCc3ccccc3)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

HBA:	3	RingCount:	6
HBD:	1	FractionCSP3:	0.76
AlogP:	8.89	Num_rotatable_bonds:	3
MolWt:	546.84	Num_heavy_atoms:	40
TPSA:	46.53	NumAromaticRings:	1