TPCN05655
Name | Bellissaponin BS1;Besysaponin C14;Bernardiosides C4 |
Molecular Formula | C59H96O26 |
Molecular Weight | 1221.39 |
CAS Registry Number | 121340-61-2 |
SMILES | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(C)C(O)C(O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6O)OC(C)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Asteraceae | Bellis sylvestris | Whole plants | 2.600000% | J Nat Prod. 1996 Apr;59(4):355-9. | 10.1021/np9600715. |
Asteraceae | Bellis sylvestris | Whole plants | 0.150000% | J Nat Prod. 1994 Sep;57(9):1279-82. | 10.1021/np50111a016. |
Asteraceae | Bellis bernardii | Whole plants | 0.112500% | J Nat Prod. 1996 Oct;59(10):939-43. | 10.1021/np960400t. |
Properties
HBA | 26 | HBD | 15 |
HeavyAtoms | 85 | AlogP | -2.55 |
TPSA | 412.82 | RotatableBonds | 11 |
FractionCSP3 | 0.95 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |