TPCN04691
![[object Object]](../../static/browser_molecular_png/TPCN04691.png)
| Name | Dianversicoside B |
| Molecular Formula | C60H94O30 |
| Molecular Weight | 1295.38 |
| CAS Registry Number | 1130280-12-4 |
| SMILES | CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C(=O)O)C5CCC43C)C2C1 |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caryophyllaceae | Dianthus chinensis | Whole plants | 0.000100% | J Nat Prod 72(4): 640-644. | 10.1021/np800589a |
Properties
| HBA | 30 | HBD | 17 |
| HeavyAtoms | 90 | AlogP | -3.83 |
| TPSA | 495.26 | RotatableBonds | 18 |
| FractionCSP3 | 0.90 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |