TPCN06135

Name Erythrosaponin A
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 2232914-10-0
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)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Rubiaceae Gardenia erythroclada Whole plants 0.000600% Phytochemistry . 2018 Aug;152:36-44 10.1016/j.phytochem.2018.04.016
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 2.88
TPSA 215.83 RotatableBonds 6
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7