GD023745

Name:

APIGENOSYLIDE A

Formula:

C43H54O18

Smiles:

CCCCCCCCCC[C@@H]1c2c(c([C@@H]3O[C@H](CO)[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(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OO[C@]12C(=O)O[C@H](C)C2=O

Aglycone:

CCCCCCCCCCC1c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OOC12C(=O)OC(C)C2=O

Sugarmoiety:

CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

• CHEMBL540481
• CNP0200004

AD04731

Formula: C31H34O9

Smiles:

CCCCCCCCCCC1c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OOC12C(=O)OC(C)C2=O

HBA:	9	RingCount:	5
HBD:	2	FractionCSP3:	0.45
AlogP:	6.06	Num_rotatable_bonds:	10
MolWt:	550.6	Num_heavy_atoms:	40
TPSA:	132.5	NumAromaticRings:	3