TPCN05395
![[object Object]](../../static/browser_molecular_png/TPCN05395.png)
| Name | Craniosaponin A |
| Molecular Formula | C54H90O23 |
| Molecular Weight | 1107.29 |
| CAS Registry Number | 443977-07-9 |
| SMILES | CC1OC(OC2C(CO)OC(OC3C(O)C(C)OC(OC4CCC5(C)C(CCC6(C)C5C(O)C=C5C7CC(C)(C)CCC7(CO)C(O)CC56C)C4(C)CO)C3OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O |
| Classify | Triterpenoids |
Content
| Family | Species | Part | Content (%) | Reference | DOI |
|---|---|---|---|---|---|
| Lamiaceae | Craniotome furcata | Whole plants | 0.001600% | Nat Prod Lett. 2002. 16, 161-166. | 10.1080/10575630290004233. |
Properties
| HBA | 23 | HBD | 15 |
| HeavyAtoms | 77 | AlogP | -2.59 |
| TPSA | 377.29 | RotatableBonds | 12 |
| FractionCSP3 | 0.96 | Rings | 9 |
| AromaticRings | 0 | AliphaticRings | 9 |