GD017387

Name:

APIGENOSYLIDE B

Formula:

C41H50O18

Smiles:

CCCCCCCC[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:

CCCCCCCCC1c2c(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

• CHEMBL538176
• CNP0188890

AD12411

Formula: C29H30O9

Smiles:

CCCCCCCCC1c2c(cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OOC12C(=O)OC(C)C2=O

HBA:	9	RingCount:	5
HBD:	2	FractionCSP3:	0.41
AlogP:	5.28	Num_rotatable_bonds:	8
MolWt:	522.55	Num_heavy_atoms:	38
TPSA:	132.5	NumAromaticRings:	3