TPCN04292
Name | Desaylsenegasaponin B;Desacylsenegasaponin b |
Molecular Formula | C59H94O29 |
Molecular Weight | 1267.37 |
CAS Registry Number | 163589-51-3 |
SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Polygalaceae | Polygala tenuifolia | Roots | 0.002167% | J Asian Nat Prod Res 8(6): 499-503. | 10.1080/10286020500173358 |
Polygalaceae | Polygala tenuifolia | Roots | 0.000472% | Nat Prod Commun 9(3): 379-382. | 10.1016/j.meatsci.2013.11.023 |
Properties
HBA | 29 | HBD | 17 |
HeavyAtoms | 88 | AlogP | -4.51 |
TPSA | 470.35 | RotatableBonds | 14 |
FractionCSP3 | 0.93 | Rings | 10 |
AromaticRings | 0 | AliphaticRings | 10 |