TPCN03902

Name Ilexside I
Molecular Formula C41H66O13
Molecular Weight 766.97
CAS Registry Number 83725-19-3
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Souliea vaginata Whole plants 0.000360% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 13 HBD 8
HeavyAtoms 54 AlogP 2.49
TPSA 215.83 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7