TPCN03943

Name Scgbiosgponins G
Molecular Formula C65H106O31
Molecular Weight 1383.53
CAS Registry Number 689257-66-7
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(O)C2O)C(O)C(OC2OC(CO)C(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 0.000260% J Nat Prod 67, 604-613 (2004). 10.1021/np0304722
Properties
HBA 31 HBD 18
HeavyAtoms 96 AlogP -4.72
TPSA 491.97 RotatableBonds 16
FractionCSP3 0.95 Rings 11
AromaticRings 0 AliphaticRings 11