GD035133

Name:

None

Formula:

C56H89O28S

Smiles:

C[C@@H]1O[C@H](O[C@@H]2C[C@@H]3C(=CC[C@]4(C)[C@H]3CC[C@H]4[C@@](C)(O)C(=O)C=CC(C)(C)O)[C@]3(C)CC[C@H](OS(=O)(=O)[O-])C[C@H]23)[C@@H](O)[C@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1O

Aglycone:

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

Sugarmoiety:

CC1OC(OC2C(OC3C(O)C(C)OC(O)C3O)OCC(OC3OC(C)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4173694

AD22246

Formula: C27H41O8S

Smiles:

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

HBA:	8	RingCount:	4
HBD:	3	FractionCSP3:	0.81
AlogP:	3.03	Num_rotatable_bonds:	6
MolWt:	525.68	Num_heavy_atoms:	36
TPSA:	144.19	NumAromaticRings:	0