TPCN04546
Name | Segetoside I |
Molecular Formula | C68H104O34 |
Molecular Weight | 1465.55 |
CAS Registry Number | 318959-80-7 |
SMILES | CC(=O)OCC1OC(OC2C(OC(C)=O)C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4O)C2OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Vaccaria hispanica | Seeds | 0.000300% | J Asian Nat Prod Res 10(1-2): 177-184. | 10.1080/10286020701394381 |
Caryophyllaceae | Vaccaria segetalis | Seeds | 0.000036% | J Asian Nat Prod Res. 2000;2(3):187-93. | 10.1080/10286020008039910. |
Properties
HBA | 34 | HBD | 15 |
HeavyAtoms | 102 | AlogP | -3.67 |
TPSA | 518.02 | RotatableBonds | 18 |
FractionCSP3 | 0.90 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |