TPCN03772

Name Hupehensis saponin F
Molecular Formula C82H134O44
Molecular Weight 1823.93
CAS Registry Number 186885-10-9
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC4C(C)OC(OC5C(CO)OC(OCC6OC(OC(=O)C78CCC(C)(C)CC7C7=CCC9C%10(C)CCC(OC%11OCC(O)C(O)C%11OC%11OC(C)C(O)C(OC%12OCC(O)C(O)C%12O)C%11O)C(C)(CO)C%10CCC9(C)C7(C)CC8)C(O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Gentianaceae Comastoma pedunculatum Aerial parts 0.000756% J Asian Nat Prod Res 17, 239-247 (2015). 10.1080/10286020.2014.984699
Properties
HBA 44 HBD 25
HeavyAtoms 126 AlogP -9.58
TPSA 688.96 RotatableBonds 23
FractionCSP3 0.96 Rings 14
AromaticRings 0 AliphaticRings 14