GD026163

Name:

ASSAMSAPONINS A

Formula:

C57H88O25

Smiles:

CC=C(C)C(=O)O[C@@H]1CC(C)(C)CC2C3=CCC4[C@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)C5CC[C@@]4(C)[C@@]3(C)C[C@H](O)[C@]21CO

Aglycone:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO

Sugarmoiety:

O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)C1O

Other Identifiers

• CHEMBL506747
• CNP0266470

AD11406

Formula: C35H54O6

Smiles:

CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C=O)C5CCC4(C)C3(C)CC(O)C12CO

HBA:	6	RingCount:	5
HBD:	3	FractionCSP3:	0.83
AlogP:	5.78	Num_rotatable_bonds:	4
MolWt:	570.81	Num_heavy_atoms:	41
TPSA:	104.06	NumAromaticRings:	0