TPCN05603

Name Oleiferasaponin A1
Molecular Formula C59H92O27
Molecular Weight 1233.36
CAS Registry Number 1456771-89-3
SMILES CCCC=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C3(C)C(O)C(O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Theaceae Camellia oleifera Seeds 0.000087% Seed Pomace. Molecules. 2017. 22. 10.3390/molecules22101562.
Properties
HBA 27 HBD 15
HeavyAtoms 86 AlogP -2.83
TPSA 437.73 RotatableBonds 17
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9