TPCN04553
![[object Object]](../../static/browser_molecular_png/TPCN04553.png)
| Name | TR-saponin C methyl ester |
| Molecular Formula | C55H84O21 |
| Molecular Weight | 1081.26 |
| CAS Registry Number | 288153-03-7 |
| SMILES | CC=C(C)C(=O)OC1C(OC(=O)C(C)CC)C2(CO)C(CC1(C)C)C1=CCC3C4(C)CCC(OC5OC(C(=O)OC)C(O)C(OC6OCC(O)C(O)C6O)C5O)C(C)(C(=O)OC)C4CCC3(C)C1(C)C(O)C2OC(C)=O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Theaceae | Camellia sinensis | Roots | 0.000280% | Phytochemistry 53(8): 941-946. | 10.1016/s0031-9422(99)00559-2 |
Properties
| HBA | 21 | HBD | 7 |
| HeavyAtoms | 76 | AlogP | 2.33 |
| TPSA | 310.03 | RotatableBonds | 13 |
| FractionCSP3 | 0.84 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |