TPCN06312

Name Erythrosaponin J
Molecular Formula C54H86O23
Molecular Weight 1103.26
CAS Registry Number 2232914-19-9
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardenia erythroclada Whole plants 0.000045% Phytochemistry . 2018 Aug;152:36-44 10.1016/j.phytochem.2018.04.016
Properties
HBA 23 HBD 13
HeavyAtoms 77 AlogP -1.06
TPSA 370.97 RotatableBonds 11
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9