TPCN06297

Name Erythrosaponin D
Molecular Formula C42H66O14
Molecular Weight 794.98
CAS Registry Number 2232914-13-3
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(O)C(C)(C)CCC6(C(=O)O)CCC45C)C3(C)C)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardenia erythroclada Whole plants 0.000055% Phytochemistry . 2018 Aug;152:36-44 10.1016/j.phytochem.2018.04.016
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 2.97
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7