TPCN03564
![[object Object]](../../static/browser_molecular_png/TPCN03564.png)
| Name | Scibiosiponins I |
| Molecular Formula | C59H96O27 |
| Molecular Weight | 1237.39 |
| CAS Registry Number | 689257-70-3 |
| SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6C(C(=O)OC7OC(COC8OC(CO)C(O)C(O)C8O)C(O)C(O)C7O)(CCC(C)C6(C)O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Caprifoliaceae | Scabiosa tschiliensis | Whole plants | 0.002500% | J Nat Prod 67, 604-613 (2004). | 10.1021/np0304722 |
Properties
| HBA | 27 | HBD | 16 |
| HeavyAtoms | 86 | AlogP | -3.57 |
| TPSA | 433.05 | RotatableBonds | 13 |
| FractionCSP3 | 0.95 | Rings | 10 |
| AromaticRings | 0 | AliphaticRings | 10 |