TPCN03889

Name Onjisaponin B;Senegin ??
Molecular Formula C75H112O35
Molecular Weight 1573.69
CAS Registry Number 35906-36-6
SMILES COc1ccc(C=CC(=O)OC2C(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)C(OC3OC(C)C(OC4OCC(OC5OC(CO)C(O)C(O)C5O)C(O)C4O)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)cc1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Polygalaceae Polygala tenuifolia Roots 0.101200% Nat Prod Commun 9(3): 379-382. 10.1016/j.meatsci.2013.11.023
Asteraceae Calendula officinalis Flowers 0.000400% Chem Pharm Bull (Tokyo), 2001, 49, 863-870. 10.1248/cpb.49.863
Properties
HBA 35 HBD 18
HeavyAtoms 110 AlogP -3.38
TPSA 544.57 RotatableBonds 20
FractionCSP3 0.83 Rings 12
AromaticRings 1 AliphaticRings 11