TPCN05813

Name Asphorodin
Molecular Formula C41H64O14
Molecular Weight 780.95
CAS Registry Number 1247002-91-0
SMILES CC1CCC2(C(=O)OC3OCC(O)C(O)C3O)CCC3(C(=O)O)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Liliaceae Asphodelus tenuifolius Whole plants 0.000213% J Asian Nat Prod Res. 2009 Nov;11(11):945-50. 10.1080/10286020903214197.
Properties
HBA 14 HBD 8
HeavyAtoms 55 AlogP 1.88
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7