TPCN04019

Name Sckbioskponins K
Molecular Formula C64H104O31
Molecular Weight 1369.51
CAS Registry Number 689257-74-7
SMILES CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(O)C(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(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 0.000142% J Nat Prod 67, 604-613 (2004). 10.1021/np0304722
Properties
HBA 31 HBD 18
HeavyAtoms 95 AlogP -5.11
TPSA 491.97 RotatableBonds 15
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11