TPCN04264

Name 3-O-??-D-galacto-pyranosyl-(1??3)-??-D-glucopyranosyloleanolic acid (arvensoside B);Oleanolic acid glycosides 2;Arvensoside B
Molecular Formula C42H68O13
Molecular Weight 780.99
CAS Registry Number 58232-00-1
SMILES CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Classify Triterpenoids
Content
Family Species Part Content (%) Reference DOI
Caryocaraceae Caryocar glabrum Fruits 0.005042% J Nat Prod 69, 196-205 (2006) 10.1021/np050336s
Asteraceae Calendula arvensis Aerial parts 0.004125% Planta Med. 1991. 57, 250-253. 10.1055/s-2006-960084
Asteraceae Calendula stellata Whole plants 0.003060% Phytochemistry 144: 33-42. 10.1016/j.phytochem.2017.08.015
Properties
HBA 13 HBD 8
HeavyAtoms 55 AlogP 2.88
TPSA 215.83 RotatableBonds 7
FractionCSP3 0.93 Rings 7
AromaticRings 0 AliphaticRings 7