TPCN03305

Name Everninic acid methyl ester 2-O-b-xylopyranosyl-(1?6)-b-glu copyranoside
Molecular Formula C21H30O13
Molecular Weight 490.46
CAS Registry Number 435326-73-1
SMILES COC(=O)c1c(C)cc(OC)cc1OC1OC(COC2OCC(O)C(O)C2O)C(O)C(O)C1O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ericaceae Rhododendron molle Roots 0.000538% Planta Med 2003; 69: 434±439 10.1055/s-2003-39716
Properties
HBA 13 HBD 6
HeavyAtoms 34 AlogP -2.57
TPSA 193.83 RotatableBonds 7
FractionCSP3 0.67 Rings 3
AromaticRings 1 AliphaticRings 2