GD021706

Name:

None

Formula:

C57H91O27S

Smiles:

CC(C)=CC(=O)C[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O[C@@H]4O[C@H](CO)[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]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@@]12C

Aglycone:

CC(C)=CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C

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

• CHEMBL2419888

AD14790

Formula: C27H41O6S

Smiles:

CC(C)=CC(=O)CC(C)C1CCC2C3CC(O)C4CC(OS(=O)(=O)[O-])CCC4(C)C3=CCC12C

HBA:	6	RingCount:	4
HBD:	1	FractionCSP3:	0.81
AlogP:	4.94	Num_rotatable_bonds:	6
MolWt:	493.69	Num_heavy_atoms:	34
TPSA:	103.73	NumAromaticRings:	0