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 |