TPCN03859
| Name | Compound 2;Leiyemudanoside A;3-0-??-Arabinopyranosyl hederagenin 28-O-??-D-gIu copyranosyl (l??6)-??-D-glucopyranoside;3-O-??-Larabinopyranosyl hederagenin 28-O-??-D-glucopyranosyl-(1??6)-??-D-glucopyranoside |
| Molecular Formula | C47H76O18 |
| Molecular Weight | 929.11 |
| CAS Registry Number | 39524-08-8 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Patrinia scabiosaefolia | Roots | 0.008571% | Planta Med 53, 62-65 (1987). | 10.1055/s-2006-962622 |
| Berberidaceae | Caulophyllum robustum | Roots | 0.000850% | Fitoterapia 81(3): 200-204. | 10.1016/j.fitote.2009.08.025 |
| Asteraceae | Calendula officinalis | Flowers | 0.000450% | Chem Pharm Bull (Tokyo), 2001, 49, 863-870. | 10.1248/cpb.49.863 |
| Caryophyllaceae | Dianthus chinensis | Aerial parts | 0.000150% | Phytochemistry 35(3): 751-756. | 10.1016/s0031-9422(00)90599-5 |
| Caprifoliaceae | Lonicera macranthoides | Buds | 0.000115% | Carbohydr Res 370: 76-81. | 10.1016/j.carres.2013.01.019 |
Properties
| HBA | 18 | HBD | 11 |
| HeavyAtoms | 65 | AlogP | -0.25 |
| TPSA | 294.98 | RotatableBonds | 9 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |