TPCN04103
![[object Object]](../../static/browser_molecular_png/TPCN04103.png)
| Name | 3beta-O-alpha-D-xylopyranosly-(1-->3)-alpha-L-2-O-acetylarabinopyranosyl-(1-->2)- beta-Dglucopyranosyl- 19alpha,23-dihydroxyl-20alpha(H)-urs-12-en-28-oic acid 28-O-beta-D-glucopyranosyl ester |
| Molecular Formula | C54H86O24 |
| Molecular Weight | 1119.26 |
| CAS Registry Number | 2567880-82-2 |
| SMILES | CC(=O)OC1C(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C(=O)OC7OC(CO)C(O)C(O)C7O)(CCC(C)C6(C)O)CCC45C)C3(C)CO)OC(CO)C(O)C2O)OCC(O)C1OC1OCC(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex cornuta | Roots | 0.000065% | Curr Med Sci 38, 976-981 (2018). | 10.1007/s11596-018-1972-4 |
Properties
| HBA | 24 | HBD | 13 |
| HeavyAtoms | 78 | AlogP | -2.24 |
| TPSA | 380.20 | RotatableBonds | 12 |
| FractionCSP3 | 0.93 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |