TPCN03842
Name | 3??-[(O-??-D-glucopyranosy1-(1??2)-??-L-arabinopyranosyl)oxy]olean-12-en28-oic acid O-??-L-rhamnopyranosyl-(1??4)- O-??-D-glucopyranosy1(1??6)-??-D-glucopyranosy1 ester;Ciwujianoside A1;Ciwujianoside A |
Molecular Formula | C59H96O26 |
Molecular Weight | 1221.39 |
CAS Registry Number | 120768-65-2 |
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)(C)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 |
---|---|---|---|---|---|
Lardizabalaceae | Akebia trifoliata | Stems | 0.008200% | Phytochemistry. 2006. 67, 2697-2705. | 10.1016/j.phytochem.2006.09.003. |
Berberidaceae | Caulophyllum thalictroides | Aerial parts | 0.001050% | J Nat Prod 72(6): 1155-1160. | 10.1021/np900164b |
Schisandraceae | Kadsura ananosma | Stems | 0.000500% | J Nat Prod, 2010, 73, 12-16. | 10.1021/np900506g |
Araliaceae | Acanthopanax senticosus | Fruits | 0.000360% | Chem Pharm Bull (Tokyo) 55(7): 1087-1089. | 10.1248/cpb.55.1087 |
Araliaceae | Acanthopanax brachypus | Barks | 0.000075% | Chem Pharm Bull (Tokyo) . 2009 Sep;57(9):1000-3 | 10.1248/cpb.57.1000 |
Properties
HBA | 26 | HBD | 15 |
HeavyAtoms | 85 | AlogP | -2.54 |
TPSA | 412.82 | RotatableBonds | 13 |
FractionCSP3 | 0.95 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |