GD024190

Name:

PAEONIDANIN D

Formula:

C47H56O21

Smiles:

CO[C@@H]1O[C@]2(C)CC(=O)[C@@H]3C[C@@]2(O[C@@H]2O[C@H](CO[C@@H]4O[C@]5(C)CC(=O)[C@@H]6C[C@@]5(O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@]46COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]2O)[C@]13COC(=O)c1ccccc1

Aglycone:

COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccccc1.COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccccc1

Sugarmoiety:

OC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O

Other Identifiers

• CHEMBL1078415
• CNP0155507

AD08967

Formula: C18H20O6

Smiles:

COC1OC2(C)CC(=O)C3CC2(O)C13COC(=O)c1ccccc1

HBA:	6	RingCount:	5
HBD:	1	FractionCSP3:	0.56
AlogP:	1.31	Num_rotatable_bonds:	4
MolWt:	332.35	Num_heavy_atoms:	24
TPSA:	82.06	NumAromaticRings:	1