TPCN06299
![[object Object]](../../static/browser_molecular_png/TPCN06299.png)
| Name | 21??-O-Angeloyl-15??,16??,28-trihydroxy-22??-O-(3-methylbutanoyl)olean-12-en-23-al 3??-O-??-L-rhamnopyranosyl-(1??3)-??-L-arabinopyranosyl-(1??3)-??-D-glucuronopyranoside |
| Molecular Formula | C57H88O23 |
| Molecular Weight | 1141.31 |
| CAS Registry Number | 2276754-40-4 |
| SMILES | CC=C(C)C(=O)OC1C(OC(=O)CC(C)C)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(OC7OC(C)C(O)C(O)C7O)C6O)C5O)C(C)(C=O)C4CCC3(C)C1(C)C(O)C2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Theaceae | Camellia japonica | Roots | 0.000053% | J Nat Prod . 2018 Nov 26;81(11):2399-2409 | 10.1021/acs.jnatprod.8b00374 |
Properties
| HBA | 23 | HBD | 11 |
| HeavyAtoms | 80 | AlogP | 0.55 |
| TPSA | 364.65 | RotatableBonds | 14 |
| FractionCSP3 | 0.86 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |