GD014604

Name:

ASTEROSIDE C

Formula:

C57H93O28S

Smiles:

CC(C)[C@H](C)C(=O)C[C@@](C)(O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5OC[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]4(C)C3=CC[C@]21C

Aglycone:

CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL526910

AD00795

Formula: C28H45O7S

Smiles:

CC(C)C(C)C(=O)CC(C)(O)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

HBA:	7	RingCount:	4
HBD:	2	FractionCSP3:	0.89
AlogP:	4.38	Num_rotatable_bonds:	7
MolWt:	525.73	Num_heavy_atoms:	36
TPSA:	123.96	NumAromaticRings:	0