TPCN04701

Name Pedunsaponin C
Molecular Formula C42H66O14
Molecular Weight 794.98
CAS Registry Number 272120-53-3
SMILES CC1(C)CCC2(C)C(=O)C(O)C3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Pueraria peduncularis Roots 0.000100% J Asian Nat Prod Res 4(4): 253-257. 10.1080/10286020290023988
Properties
HBA 14 HBD 8
HeavyAtoms 56 AlogP 2.06
TPSA 232.90 RotatableBonds 6
FractionCSP3 0.90 Rings 7
AromaticRings 0 AliphaticRings 7