TPCN04366

Name Desaylsenegasaponin C
Molecular Formula C67H106O35
Molecular Weight 1471.55
CAS Registry Number 945674-72-6
SMILES CC(=O)OCC1OC(OC2C(O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(CO)CC4)C2OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Polygalaceae Polygala tenuifolia Roots 0.001133% J Asian Nat Prod Res 8(6): 499-503. 10.1080/10286020500173358
Properties
HBA 35 HBD 19
HeavyAtoms 102 AlogP -6.11
TPSA 555.57 RotatableBonds 18
FractionCSP3 0.93 Rings 11
AromaticRings 0 AliphaticRings 11