TPCN04473
Name | Scheffoleoside A;3-b-[(b-D-glucopyranosyl-(1 ! 2)-O-[b-D-glucopyranosyl-(1 ! 3)-O-]-a-L-arabinopyranosyl)oxy]-olean-12-en-28-oic acid |
Molecular Formula | C48H78O19 |
Molecular Weight | 959.13 |
CAS Registry Number | 160669-23-8 |
SMILES | CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)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 |
---|---|---|---|---|---|
Lardizabalaceae | Akebia trifoliata | Peels | 0.020250% | Chem Pharm Bull (Tokyo) . 2012;60(10):1264-74 | 10.1248/cpb.c12-00448 |
Lardizabalaceae | Akebia trifoliata | Stems | 0.000900% | Phytochemistry. 2006. 67, 2697-2705. | 10.1016/j.phytochem.2006.09.003. |
Apiaceae | Centella asiatica | Aerial parts | 0.000500% | Chem Pharm Bull (Tokyo) 49(10): 1368-1371. | 10.1248/cpb.49.1368 |
Lardizabalaceae | Akebia trifoliata | Stems | 0.000400% | Phytochemistry. 2006. 67, 2697-2705. | 10.1016/j.phytochem.2006.09.003. |
Properties
HBA | 19 | HBD | 12 |
HeavyAtoms | 67 | AlogP | -0.89 |
TPSA | 315.21 | RotatableBonds | 9 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |