TPCN05550
![[object Object]](../../static/browser_molecular_png/TPCN05550.png)
| Name | 19??,23-dihydroxyurs-12-en-28-oic acid 3??-O-[??-D-glucuronopyranoside-6-O-methylester]-28-O-??-Dglucopyranosyl ester |
| Molecular Formula | C43H68O16 |
| Molecular Weight | 841.00 |
| CAS Registry Number | 1531599-81-1 |
| SMILES | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5C(C(=O)OC6OC(CO)C(O)C(O)C6O)(CCC(C)C5(C)O)CCC34C)C2(C)CO)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Aquifoliaceae | Ilex rotunda | Barks | 0.000175% | Fitoterapia. 2015. 101, 19-26. | 10.1016/j.fitote.2014.11.007 |
Properties
| HBA | 16 | HBD | 9 |
| HeavyAtoms | 59 | AlogP | 0.44 |
| TPSA | 262.36 | RotatableBonds | 7 |
| FractionCSP3 | 0.91 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |