TPCN04003
![[object Object]](../../static/browser_molecular_png/TPCN04003.png)
| Name | Gypsosaponins B |
| Molecular Formula | C71H112O36 |
| Molecular Weight | 1541.64 |
| CAS Registry Number | 942927-63-1 |
| SMILES | COC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(C)C(O)C(O)C5OC5OC(C)C(OC6OCC(O)C(O)C6O)C(OC6OC(CO)C(O)C(O)C6O)C5O)CCC34C)C2(C)C=O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OCC(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Gypsophila oldhamiana | Roots | 0.000167% | Chem Pharm Bull (Tokyo) 55, 646-650 (2007). | 10.1248/cpb.55.646 |
Properties
| HBA | 36 | HBD | 18 |
| HeavyAtoms | 107 | AlogP | -5.87 |
| TPSA | 553.80 | RotatableBonds | 18 |
| FractionCSP3 | 0.93 | Rings | 12 |
| AromaticRings | 0 | AliphaticRings | 12 |