TPCN03720

Name Pomolic acid 3-O-(3-O-sulfo)-??-L-arabinopyranoside;Asprellanosides B
Molecular Formula C35H56O11S
Molecular Weight 684.89
CAS Registry Number 1454652-36-8
SMILES CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OS(=O)(=O)O)C6O)C(C)(C)C5CCC43C)C2C1(C)O
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Aquifoliaceae Ilex asprella Roots 0.001000% Planta Med 78, 1702-1705 (2012). 10.1055/s-0032-1315209
Polygalaceae Polygala sibirica Aerial parts 0.000085% Fitoterapia. 2013 Jan;84:295-301. 10.1016/j.fitote.2012.12.017.
Properties
HBA 11 HBD 5
HeavyAtoms 47 AlogP 4.49
TPSA 180.05 RotatableBonds 5
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6