TPCN04183
Name | 3-O-??-D-glucopyranosyl-(1??2)-??-L-arabinopyranosyl-hederagenin 28-O-??-L-rhamnopyranosyl-(1??4)-??-D-glucopyranosyl(1??6)-??-D-glucopyranoside;3??-[(O-??-D-glucopyranosy1-(1??2)-??-L-arabinopyranosyl)oxy]-23-hydroxyolean-12-en-28-oic acid O-??-L-rhamnopyranosyl-(1??4)-O-??-D-glucopyranosy1-(1??6)-??-Dglucopyranosy1 ester |
Molecular Formula | C59H96O27 |
Molecular Weight | 1237.39 |
CAS Registry Number | 60454-69-5 |
SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(CO)C(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 | 0.065250% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Berberidaceae | Caulophyllum thalictroides | Roots | 0.008000% | J Agric Food Chem . 2001 Dec;49(12):5969-74 | 10.1021/jf010814e |
Properties
HBA | 27 | HBD | 16 |
HeavyAtoms | 86 | AlogP | -3.57 |
TPSA | 433.05 | RotatableBonds | 14 |
FractionCSP3 | 0.95 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |