TPCN06115

Name Flaccidoside III
Molecular Formula C59H96O26
Molecular Weight 1221.39
CAS Registry Number 140400-67-5
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(CO)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone flaccida Subterraneous stems 0.000769% J Asian Nat Prod Res . 2014;16(9):910-21 10.1080/10286020.2014.954554
Properties
HBA 26 HBD 15
HeavyAtoms 85 AlogP -2.54
TPSA 412.82 RotatableBonds 13
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10