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 |