TPCN05762

Name Asterbatanoside H
Molecular Formula C54H88O25
Molecular Weight 1137.27
CAS Registry Number 163565-03-5
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Compositae Aster batangensis Roots 0.000721% Phytochemistry. 1995 Mar;38(4):927-33. 10.1016/0031-9422(94)00744-e.
Properties
HBA 25 HBD 16
HeavyAtoms 79 AlogP -4.09
TPSA 414.59 RotatableBonds 13
FractionCSP3 0.94 Rings 9
AromaticRings 0 AliphaticRings 9