TPCN03928

Name Ilekudinoside R
Molecular Formula C41H64O13
Molecular Weight 764.95
CAS Registry Number 864234-34-4
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Souliea vaginata Whole plants 0.000300% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 13 HBD 7
HeavyAtoms 54 AlogP 2.23
TPSA 204.83 RotatableBonds 4
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9