TPCN06191

Name Flaccidoside IV
Molecular Formula C53H86O21
Molecular Weight 1059.25
CAS Registry Number 1807854-99-4
SMILES CC1=CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone flaccida Subterraneous stems 0.000308% J Asian Nat Prod Res . 2014;16(9):910-21 10.1080/10286020.2014.954554
Properties
HBA 21 HBD 12
HeavyAtoms 74 AlogP -0.51
TPSA 333.67 RotatableBonds 10
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9