TPCN03980

Name Ilemaminosides A
Molecular Formula C35H56O8
Molecular Weight 604.83
CAS Registry Number 1408381-14-5
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex mamillata Leaves 0.000200% Nat Prod Res, 2012, 26, 1991-1995. 10.1080/14786419.2011.636744
Properties
HBA 8 HBD 5
HeavyAtoms 43 AlogP 4.67
TPSA 136.68 RotatableBonds 3
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6