TPCN05096
| Name | Saponin 1 |
| Molecular Formula | C64H104O32 |
| Molecular Weight | 1385.50 |
| CAS Registry Number | 171674-86-5 |
| SMILES | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OC(CO)C(O)C(O)C%10O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Sapotaceae | Argania spinosa | Seeds | 0.000500% | J Agric Food Chem 50, 4600-4603 (2002) | 10.1021/jf0200117 |
Properties
| HBA | 32 | HBD | 19 |
| HeavyAtoms | 96 | AlogP | -6.14 |
| TPSA | 512.20 | RotatableBonds | 15 |
| FractionCSP3 | 0.95 | Rings | 11 |
| AromaticRings | 0 | AliphaticRings | 11 |