GD021959

Name:

PETIOLAROSIDE DECAACETATE

Formula:

C47H50O25

Smiles:

CC(=O)C[C@@H]1O[C@H](Oc2c(-c3ccc(OC(C)=O)c(OC(C)=O)c3)oc3cc(O[C@@H]4O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]4OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

Aglycone:

CC(=O)Oc1ccc(-c2oc3cc(O)cc(OC(C)=O)c3c(=O)c2O)cc1OC(C)=O

Sugarmoiety:

CC(=O)CC1OC(O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CC(=O)OC1C(C)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1774173
• CNP0085124

AD14943

Formula: C21H16O10

Smiles:

CC(=O)Oc1ccc(-c2oc3cc(O)cc(OC(C)=O)c3c(=O)c2O)cc1OC(C)=O

HBA:	10	RingCount:	3
HBD:	2	FractionCSP3:	0.14
AlogP:	2.65	Num_rotatable_bonds:	4
MolWt:	428.35	Num_heavy_atoms:	31
TPSA:	149.57	NumAromaticRings:	3