TPCN04053

Name Ilekudinoside K
Molecular Formula C42H64O13
Molecular Weight 776.96
CAS Registry Number 864234-27-5
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6C7(CCC(C)(OC7=O)C6(C)O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Souliea vaginata Whole plants 0.000104% Chem Pharm Bull (Tokyo) 52, 622-624 (2004). 10.1248/cpb.52.622
Properties
HBA 13 HBD 7
HeavyAtoms 55 AlogP 2.40
TPSA 204.83 RotatableBonds 5
FractionCSP3 0.88 Rings 9
AromaticRings 0 AliphaticRings 9