TPCN03809

Name Sccbioscponins C
Molecular Formula C70H114O35
Molecular Weight 1515.65
CAS Registry Number 689257-58-7
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(OC2OCC(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Scabiosa tschiliensis Whole plants 0.000583% J Nat Prod 67, 604-613 (2004). 10.1021/np0304722
Properties
HBA 35 HBD 20
HeavyAtoms 105 AlogP -6.26
TPSA 550.89 RotatableBonds 18
FractionCSP3 0.96 Rings 12
AromaticRings 0 AliphaticRings 12