TPCN04291

Name Beesioside Q
Molecular Formula C65H106O30
Molecular Weight 1367.53
CAS Registry Number 261767-91-3
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Pulsatilla koreana Roots 0.002200% Molecules 18(5): 5306-5316. 10.3390/molecules18055306
Properties
HBA 30 HBD 17
HeavyAtoms 95 AlogP -3.69
TPSA 471.74 RotatableBonds 15
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11