TPCN03297

Name 5-Methoxyphthalide 7-O-b-xylopyranosyl-(1?6)-b-glucopyranoside
Molecular Formula C20H26O13
Molecular Weight 474.42
CAS Registry Number 435326-74-2
SMILES COc1cc2c(c(OC3OC(COC4OCC(O)C(O)C4O)C(O)C(O)C3O)c1)C(=O)OC2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ericaceae Rhododendron molle Roots 0.000769% Planta Med 2003; 69: 434±439 10.1055/s-2003-39716
Properties
HBA 13 HBD 6
HeavyAtoms 33 AlogP -2.99
TPSA 193.83 RotatableBonds 6
FractionCSP3 0.65 Rings 4
AromaticRings 1 AliphaticRings 3