TPCN04952

Name Polysciasoside A
Molecular Formula C42H70O13
Molecular Weight 783.01
CAS Registry Number 320343-86-0
SMILES CC(C)=CCCC(C)(O)C1C(O)CC2(C)C1C(=O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(C)C(O)C(O)C4O)C(C)(C)C3CCC12C
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Araliaceae Polyscias fulva Leaves 0.003833% J Nat Prod 64, 95-97 (2001). 10.1021/np0003589
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 2.36
TPSA 215.83 RotatableBonds 9
FractionCSP3 0.93 Rings 6
AromaticRings 0 AliphaticRings 6