TPCN03756

Name Bunkankasaponin F
Molecular Formula C60H92O23
Molecular Weight 1181.37
CAS Registry Number 1394136-88-9
SMILES CC=C(C)C(=O)OC1C(C)OC(OC2C(OC(C)=O)C3(CO)C(O)CC4(C)C(=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC54C)C3CC2(C)C)C(O)C1OC(=O)C(C)=CC
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Meliaceae Aphanamixis grandifolia Stems 0.000821% Phytochemistry 80, 148-155 (2012). 10.1016/j.phytochem.2012.05.017
Properties
HBA 23 HBD 10
HeavyAtoms 83 AlogP 2.25
TPSA 353.65 RotatableBonds 14
FractionCSP3 0.83 Rings 8
AromaticRings 0 AliphaticRings 8