TPCN04506

Name Xylosmin
Molecular Formula C34H32O15
Molecular Weight 680.62
CAS Registry Number 164672-57-5
SMILES O=C(OCC1OC(Oc2ccc(O)cc2COC(=O)C2(O)C(O)C=CC(=O)C2O)C(OC(=O)c2ccccc2)C(O)C1O)c1ccccc1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Flacourtiaceae Scolopia chinensis Stems 0.000401% Planta Med 76(4): 358-361. 10.1055/s-0029-1186157
Properties
HBA 15 HBD 6
HeavyAtoms 49 AlogP -0.06
TPSA 235.81 RotatableBonds 10
FractionCSP3 0.29 Rings 5
AromaticRings 3 AliphaticRings 2