TPCN06331
![[object Object]](../../static/browser_molecular_png/TPCN06331.png)
| Name | 16??-O-Acetyl-21??-O-angeloyl-23,28-dihydroxy-22??-O-(2- methylbutanoyl)olean-12-ene 3??-O-??-L-rhamnopyranosyl-(1??3)-??-L-arabinopyranosyl-(1??3)-??-D-glucuronopyranoside |
| Molecular Formula | C59H92O23 |
| Molecular Weight | 1169.36 |
| CAS Registry Number | 2276754-31-3 |
| SMILES | CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(OC(C)=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(OC8OC(C)C(O)C(O)C8O)C7O)C6O)C(C)(CO)C5CCC43C)C2CC1(C)C |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Theaceae | Camellia japonica | Roots | 0.000028% | J Nat Prod . 2018 Nov 26;81(11):2399-2409 | 10.1021/acs.jnatprod.8b00374 |
Properties
| HBA | 23 | HBD | 10 |
| HeavyAtoms | 82 | AlogP | 1.94 |
| TPSA | 353.65 | RotatableBonds | 15 |
| FractionCSP3 | 0.86 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |