TPCN05351
Name | Silenoside B |
Molecular Formula | C65H102O33 |
Molecular Weight | 1411.50 |
CAS Registry Number | 229484-36-0 |
SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Silene vulgaris | Roots | 0.003000% | J Nat Prod. 1999. 62, 717-721. | 10.1021/np980505r. |
Properties
HBA | 33 | HBD | 18 |
HeavyAtoms | 98 | AlogP | -5.45 |
TPSA | 526.11 | RotatableBonds | 16 |
FractionCSP3 | 0.92 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |