TPCN05536

Name Phengustifol A
Molecular Formula C69H110O29
Molecular Weight 1403.61
CAS Registry Number 2657707-05-4
SMILES C=CC(C)(O)CCC=C(C)C(=O)OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Elaeagnaceae Elaeagnus angustifolia Flowers 0.000240% Molecules. 2020. 25. 10.3390/molecules25030462
Properties
HBA 29 HBD 16
HeavyAtoms 98 AlogP -1.36
TPSA 459.35 RotatableBonds 19
FractionCSP3 0.88 Rings 10
AromaticRings 0 AliphaticRings 10