TPCN06226

Name Erythrosaponin E
Molecular Formula C48H78O18
Molecular Weight 943.13
CAS Registry Number 2232914-14-4
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(O)C(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OC(CO)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardenia erythroclada Whole plants 0.000175% Phytochemistry . 2018 Aug;152:36-44 10.1016/j.phytochem.2018.04.016
Properties
HBA 18 HBD 11
HeavyAtoms 66 AlogP 0.70
TPSA 294.98 RotatableBonds 9
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8