TPCN05703

Name Asterlingulatosides B
Molecular Formula C47H76O17
Molecular Weight 913.11
CAS Registry Number 184777-34-2
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4O)OCC(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Aster lingulatus Whole plants 0.004943% Phytochemistry. 1997 Jan;44(2):337-40. 10.1016/s0031-9422(96)00551-1.
Properties
HBA 17 HBD 10
HeavyAtoms 64 AlogP 0.78
TPSA 274.75 RotatableBonds 7
FractionCSP3 0.94 Rings 8
AromaticRings 0 AliphaticRings 8