TPCN05692

Name Polacandrin
Molecular Formula C30H52O5
Molecular Weight 492.74
CAS Registry Number 145700-90-9
SMILES CC(C)(O)C1CCC(C)(C2CCC3(C)C2C(O)CC2C4(C)C(O)CC(O)C(C)(C)C4CCC23C)O1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Capparaceae Polanisia dodecandra Whole plants 0.008000% J Nat Prod. 1992 Oct;55(10):1488-97. 10.1021/np50088a015.
Properties
HBA 5 HBD 4
HeavyAtoms 35 AlogP 4.68
TPSA 90.15 RotatableBonds 2
FractionCSP3 1.00 Rings 5
AromaticRings 0 AliphaticRings 5