GD021594

Name:

None

Formula:

C57H92O27S

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](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]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)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

• CHEMBL1208180
• CNP0440196

AD09000

Formula: C33H52O11S

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:	4	FractionCSP3:	0.88
AlogP:	3.54	Num_rotatable_bonds:	9
MolWt:	656.83	Num_heavy_atoms:	45
TPSA:	176.89	NumAromaticRings:	0