TPCN04130

Name Helixosides A;Helixoside A
Molecular Formula C54H88O24
Molecular Weight 1121.27
CAS Registry Number 134515-63-2
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Hedera helix Fruits 0.044500% Phytochemistry 53, 905-909 (2000). 10.1016/s0031-9422(99)00503-8
Fabaceae Albizia julibrissin Barks 0.000045% Fitoterapia 81, 859-863 (2010). 10.1016/j.fitote.2010.05.014
Properties
HBA 24 HBD 15
HeavyAtoms 78 AlogP -3.06
TPSA 394.36 RotatableBonds 13
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9