GD021304

Name:

None

Formula:

C57H91O27S

Smiles:

CC(C)CC(=O)C[C@@](C)(O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](C)C(=O)[C@H](OC5O[C@H](C)[C@H](OC6O[C@H](C)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5OC5O[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)CC(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(=O)C(O)C4O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

Sugarmoiety:

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

Other Identifiers

• CHEMBL526007

AD14589

Formula: C33H51O11S

Smiles:

CC(C)CC(=O)CC(C)(O)C1CCC2C3CC(OC4OC(C)C(=O)C(O)C4O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC21C

HBA:	11	RingCount:	5
HBD:	3	FractionCSP3:	0.88
AlogP:	3.2	Num_rotatable_bonds:	9
MolWt:	655.83	Num_heavy_atoms:	45
TPSA:	179.72	NumAromaticRings:	0