TPCN05471

Name Sorghumol;Flaccidoside II
Molecular Formula C59H96O25
Molecular Weight 1205.39
CAS Registry Number 140694-19-5
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)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
Orchidaceae Anoectochilus roxburghii Whole plants 0.000600% Phytochem Anal. 2008. 19, 438-443. 10.1002/pca.1070.
Properties
HBA 25 HBD 14
HeavyAtoms 84 AlogP -1.52
TPSA 392.59 RotatableBonds 12
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10