GD025317

Name:

Rehmannioside D

Formula:

C27H42O20

Smiles:

OCC1=C[C@H](O)[C@]2(O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12

Aglycone:

OCC1=CC(O)C2(O)C=COC(O)C12

Sugarmoiety:

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL4299551
• CNP0115698

AD05061

Formula: C9H12O5

Smiles:

OCC1=CC(O)C2(O)C=COC(O)C12

HBA:	5	RingCount:	2
HBD:	4	FractionCSP3:	0.56
AlogP:	-1.51	Num_rotatable_bonds:	1
MolWt:	200.19	Num_heavy_atoms:	14
TPSA:	90.15	NumAromaticRings:	0