GD012288

Name:

ASTEBATHERIOSIDE B

Formula:

C34H53O22N

Smiles:

CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O

Aglycone:

CC(=O)c1[nH]ccc1O

Sugarmoiety:

CC1OC(OC2C(O)OC(C)C(OC3OCC(O)C(O)C3OC3OC(C)C(O)C(OC4OC(CO)C(O)C4O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL2333841
• CNP0128608

AD09284

Formula: C6H7O2N

Smiles:

CC(=O)c1[nH]ccc1O

HBA:	3	RingCount:	1
HBD:	2	FractionCSP3:	0.17
AlogP:	0.92	Num_rotatable_bonds:	1
MolWt:	125.13	Num_heavy_atoms:	9
TPSA:	53.09	NumAromaticRings:	1