TPCN03832

Name Scebioseponins E
Molecular Formula C58H94O25
Molecular Weight 1191.37
CAS Registry Number 689257-62-3
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(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caprifoliaceae Scabiosa tschiliensis Whole plants 0.000521% J Nat Prod 67, 604-613 (2004). 10.1021/np0304722
Properties
HBA 25 HBD 14
HeavyAtoms 83 AlogP -1.91
TPSA 392.59 RotatableBonds 12
FractionCSP3 0.95 Rings 10
AromaticRings 0 AliphaticRings 10