TPCN04910
Name | Herniaria saponin B |
Molecular Formula | C65H102O33 |
Molecular Weight | 1411.50 |
CAS Registry Number | 189142-16-3 |
SMILES | CC1OC(OC2C(O)COC(OC3C(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(OC8OC(C)C(OC9OC(C(=O)O)C(O)C(O)C9O)C(O)C8O)C(C)(C(=O)O)C7CCC6(C)C4(C)CC5O)OC(C)C(O)C3O)C2OC2OC(C)C(O)C(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Herniaria fontanesii | Aerial parts | 0.007200% | Adv Exp Med Biol 405, 241-245 (1996) | 10.1007/978-1-4613-0413-5_21 |
Properties
HBA | 33 | HBD | 18 |
HeavyAtoms | 98 | AlogP | -4.54 |
TPSA | 526.11 | RotatableBonds | 14 |
FractionCSP3 | 0.92 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |