GD029978

Name:

ASTERIIDOSIDE C

Formula:

C64H105O30S

Smiles:

CC(C)=CCC[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]5O[C@H](C)[C@H](O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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]4C)[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]4(C)C3=CC[C@]21C

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(OC3C(C)C(O)OC(C)C3O)OC(C)C(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL506318

AD09611

Formula: C27H43O6S

Smiles:

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

HBA:	6	RingCount:	4
HBD:	2	FractionCSP3:	0.85
AlogP:	4.88	Num_rotatable_bonds:	6
MolWt:	495.7	Num_heavy_atoms:	34
TPSA:	106.89	NumAromaticRings:	0