TPCN05757

Name Asteryunnanosides C
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 165198-94-7
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(O)C(C)(C)C6CCC5(C)C3(C)CC4)OC(CO)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Compositae Aster yunnanensis Roots 0.000833% Phytochemistry. 1995 Apr;38(6):1487-92. 10.1016/0031-9422(94)00794-t.
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 2.31
TPSA 215.83 RotatableBonds 5
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7