TPCN03960
![[object Object]](../../static/browser_molecular_png/TPCN03960.png)
| Name | 3-O-??-L-rhamnopyranosyl-(1 ?? 2)-O-??-Dglucopyranosyl hederagenin |
| Molecular Formula | C42H68O13 |
| Molecular Weight | 780.99 |
| CAS Registry Number | 203514-16-3 |
| SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OC(CO)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Vaccaria segetalis | Seeds | 0.000230% | Phytochemistry 47, 143-144 (1998). | 10.1016/s0031-9422(97)00496-2 |
Properties
| HBA | 13 | HBD | 8 |
| HeavyAtoms | 55 | AlogP | 2.88 |
| TPSA | 215.83 | RotatableBonds | 7 |
| FractionCSP3 | 0.93 | Rings | 7 |
| AromaticRings | 0 | AliphaticRings | 7 |