TPCN04487
![[object Object]](../../static/browser_molecular_png/TPCN04487.png)
| Name | Soyasaponin I methyl ester |
| Molecular Formula | C49H80O18 |
| Molecular Weight | 957.16 |
| CAS Registry Number | 86764-13-8 |
| SMILES | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CC(O)C5(C)CCC34C)C2(C)CO)C(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Balsaminaceae | Impatiens siculifer | Whole plants | 0.000460% | Phytochemistry 70(6): 816-821. | 10.1016/j.phytochem.2009.03.022 |
Properties
| HBA | 18 | HBD | 10 |
| HeavyAtoms | 67 | AlogP | 0.79 |
| TPSA | 283.98 | RotatableBonds | 9 |
| FractionCSP3 | 0.94 | Rings | 8 |
| AromaticRings | 0 | AliphaticRings | 8 |