TPCN00511

Name Sibiraglucoside B
Molecular Formula C27H34O11
Molecular Weight 534.56
CAS Registry Number 2130935-69-0
SMILES COc1ccc(C=CC(=O)OCC2OC(OCC=C3CC(C=C(C)C)OC3=O)C(O)C(O)C2O)cc1OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Rosaceae Sibiraea angustata Aerial parts 0.000180% Phytochem Lett, 2013, 6, 461-466. 10.1016/j.phytol.2013.05.016
Properties
HBA 11 HBD 3
HeavyAtoms 38 AlogP 1.29
TPSA 150.21 RotatableBonds 10
FractionCSP3 0.48 Rings 3
AromaticRings 1 AliphaticRings 2