GD020888

Name:

None

Formula:

C57H94O28S

Smiles:

CC(C)CC(=O)C[C@@](C)(O)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](OC4O[C@H](CO)[C@H](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(O)C4CC(OS(=O)(=O)O)CCC4(C)C3=CCC21C

Sugarmoiety:

CC1OC(OC2C(OC3C(C)OC(OC4C(O)C(O)OC(CO)C4O)C(OC4OC(C)C(O)C(O)C4O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1205702

AD00012

Formula: C27H44O7S

Smiles:

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

HBA:	7	RingCount:	4
HBD:	3	FractionCSP3:	0.89
AlogP:	4.48	Num_rotatable_bonds:	7
MolWt:	512.71	Num_heavy_atoms:	35
TPSA:	121.13	NumAromaticRings:	0