TPCN04006

Name Ilemaminosides B
Molecular Formula C41H66O13
Molecular Weight 766.97
CAS Registry Number 1408381-21-4
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex mamillata Leaves 0.000160% Nat Prod Res, 2012, 26, 1991-1995. 10.1080/14786419.2011.636744
Properties
HBA 13 HBD 8
HeavyAtoms 54 AlogP 2.49
TPSA 215.83 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7