TPCN04024
Name | 3b-[(a-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid O-aL-rhamnopyranosyl-(1??4)-O-b-D-glucopyranosyl-(1??6)-bD-glucopyranosyl ester;3??-[(??-L-arabino-pyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid O-??-L-rhamnopyranosyl-(1??4)-O-??-D-glucopyranosy1-(1??6)-??-D-glucopyranosyl ester |
Molecular Formula | C53H86O22 |
Molecular Weight | 1075.25 |
CAS Registry Number | 760961-03-3 |
SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Berberidaceae | Caulophyllum thalictroides | Aerial parts | 0.001923% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Caryophyllaceae | Sinocrassula asclepiadea | Roots | 0.000138% | Chem Pharm Bull (Tokyo) 52, 230-237 (2004). | 10.1248/cpb.52.230 |
Properties
HBA | 22 | HBD | 13 |
HeavyAtoms | 75 | AlogP | -1.40 |
TPSA | 353.90 | RotatableBonds | 11 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |