TPCN04627
Name | 3-O-??-L-Arabinopyranosyl(1??3)-??-L-rhamnopyranosyl-(1 ! 2)[??-L-rhamnopyranosyl-(1??4)]-??-Dglucopyranosyl gypsogenin 28-O-??-Dglucopyranosyl-(1??6)-??-Dglucopyranosyl ester |
Molecular Formula | C65H104O31 |
Molecular Weight | 1381.52 |
CAS Registry Number | 2568015-33-6 |
SMILES | CC1OC(OC2C(CO)OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC45C)C3(C)C=O)C(OC3OC(C)C(O)C(OC4OCC(O)C(O)C4O)C3O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Anemone taipaiensis | Aerial parts | 0.000173% | J Asian Nat Prod Res 17(5): 576-585. | 10.1080/10286020.2015.1043903 |
Properties
HBA | 31 | HBD | 17 |
HeavyAtoms | 96 | AlogP | -4.51 |
TPSA | 488.81 | RotatableBonds | 16 |
FractionCSP3 | 0.94 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |