TPCN05799

Name 22-O-tigloylcamelliagenin A
Molecular Formula C35H56O5
Molecular Weight 556.83
CAS Registry Number 1402659-29-3
SMILES CC=C(C)C(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC(O)C12CO
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Lecythidaceae Barringtonia asiatica Barks 0.000339% Nat Prod Res. 2012;26(20):1869-75. 10.1080/14786419.2011.619187.
Properties
HBA 5 HBD 3
HeavyAtoms 40 AlogP 6.60
TPSA 86.99 RotatableBonds 3
FractionCSP3 0.86 Rings 5
AromaticRings 0 AliphaticRings 5