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