TPCN03664
![[object Object]](../../static/browser_molecular_png/TPCN03664.png)
| Name | Theasaponins G1 |
| Molecular Formula | C57H88O25 |
| Molecular Weight | 1173.31 |
| CAS Registry Number | 929877-81-6 |
| SMILES | CC=C(C)C(=O)OCC12C(O)CC(C)(C)CC1C1=CCC3C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C=O)C4CCC3(C)C1(C)CC2O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Theaceae | Camellia sinensis | Seeds | 0.001300% | Chem Pharm Bull (Tokyo), 2007, 55, 57-63. | 10.1248/cpb.55.57 |
Properties
| HBA | 25 | HBD | 13 |
| HeavyAtoms | 82 | AlogP | -1.55 |
| TPSA | 397.27 | RotatableBonds | 14 |
| FractionCSP3 | 0.88 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |