TPCN04348

Name Antonioside D
Molecular Formula C60H94O28
Molecular Weight 1263.38
CAS Registry Number 1220827-66-6
SMILES CC=C(C)C(=O)OC1C(OC(C)=O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C21CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Loganiaceae Antonia ovata Barks 0.001273% Phytochemistry 71(4): 429-434. 10.1016/j.phytochem.2009.11.007
Properties
HBA 28 HBD 15
HeavyAtoms 88 AlogP -2.86
TPSA 446.96 RotatableBonds 15
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9