TPCN05781

Name Asterbatanoside C
Molecular Formula C42H68O15
Molecular Weight 812.99
CAS Registry Number 91174-19-5
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Compositae Aster batangensis Roots 0.000500% Phytochemistry. 1996 Apr;41(6):1593-8. 10.1016/0031-9422(95)00219-7.
Properties
HBA 15 HBD 10
HeavyAtoms 57 AlogP 0.26
TPSA 256.29 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7