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