TPCN05437

Name Glycoside St-J
Molecular Formula C54H86O23
Molecular Weight 1103.26
CAS Registry Number 203513-88-6
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Anemone flaccida Subterraneous stems 0.000800% J Asian Nat Prod Res. 2009. 11, 122-127. 10.1080/10286020802573818
Properties
HBA 23 HBD 13
HeavyAtoms 77 AlogP -0.92
TPSA 370.97 RotatableBonds 11
FractionCSP3 0.93 Rings 9
AromaticRings 0 AliphaticRings 9