GD000679

Name:

Gymnoside Xvi

Formula:

C46H66O28

Smiles:

CC(C)C[C@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)(C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)[C@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc1

Aglycone:

Cc1ccc(O)cc1.Cc1ccc(O)cc1

Sugarmoiety:

CC(C)CC(OC1OC(CO)C(O)C(O)C1O)(C(=O)OO)C(O)C(=O)OO.OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL510664
• CNP0383371

AD00732

Formula: C7H8O

Smiles:

Cc1ccc(O)cc1

HBA:	1	RingCount:	1
HBD:	1	FractionCSP3:	0.14
AlogP:	1.7	Num_rotatable_bonds:	0
MolWt:	108.14	Num_heavy_atoms:	8
TPSA:	20.23	NumAromaticRings:	1