TPCN01970
![[object Object]](../../static/browser_molecular_png/TPCN01970.png)
| Name | Sitoindoside I |
| Molecular Formula | C51H90O7 |
| Molecular Weight | 815.27 |
| CAS Registry Number | 18749-71-8 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC1OC(OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)CCC(CC)C(C)C)CCC43)C2)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Fabaceae | Caesalpinia mimosoides | Fruits | 0.000081% | Nat Prod Res 32, 875-879 (2018). | 10.1080/14786419.2017.1365070 |
| Bignoniaceae | Incarvillea delavayi | Whole plants | 0.000032% | Nat Prod Res 24(10): 915-919(2010) | 10.1080/14786410802421026 |
Properties
| HBA | 7 | HBD | 3 |
| HeavyAtoms | 58 | AlogP | 11.88 |
| TPSA | 105.45 | RotatableBonds | 24 |
| FractionCSP3 | 0.94 | Rings | 5 |
| AromaticRings | 0 | AliphaticRings | 5 |