TPCN04778

Name Ecliptasaponin C
Molecular Formula C42H68O14
Molecular Weight 796.99
CAS Registry Number 189272-99-9
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex chinensis Leaves 0.000029% Fitoterapia 131: 134-140. 10.1016/j.fitote.2018.10.007
Properties
HBA 14 HBD 9
HeavyAtoms 56 AlogP 1.29
TPSA 236.06 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7