TPCN05785

Name Asterbatanoside G
Molecular Formula C54H88O24
Molecular Weight 1121.27
CAS Registry Number 143519-56-6
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Compositae Aster batangensis Roots 0.000464% Phytochemistry. 1995 Mar;38(4):927-33. 10.1016/0031-9422(94)00744-e.
Properties
HBA 24 HBD 15
HeavyAtoms 78 AlogP -3.06
TPSA 394.36 RotatableBonds 12
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9