TPCN04279

Name Prosapogenin-3;Prosapogenin 10
Molecular Formula C86H138O43
Molecular Weight 1860.01
CAS Registry Number 186428-62-6
SMILES C=CC(C)(CCC=C(CO)C(=O)OC1CC2(C(=O)OC3OC(CO)C(O)C(O)C3OC3OC(C)C(OC4OC(CO)C(O)C4O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(C)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2CC1(C)C)OC1OC(C)C(O)C(O)C1O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Fabaceae Pithecellobium lucidum Roots 0.002444% J Nat Prod 71(1): 41-46. 10.1021/np0703794
Fabaceae Albizia julibrissin Barks 0.000022% Magn Reson Chem. 2008. 46, 1059-1065. 10.1002/mrc.2263.
Properties
HBA 43 HBD 24
HeavyAtoms 129 AlogP -7.25
TPSA 676.57 RotatableBonds 27
FractionCSP3 0.91 Rings 13
AromaticRings 0 AliphaticRings 13