TPCN04355
Name | 3-O-??-D-ribopyranosyl(1??3)-??-L-rhamnopyranosyl(1??2)??-D-xylopyranosyl hederagenin |
Molecular Formula | C47H76O17 |
Molecular Weight | 913.11 |
CAS Registry Number | 2170661-84-2 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OC(CO)C(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis uncinata | Roots | 0.001200% | J Asian Nat Prod Res 17(12): 1153-1159. | 10.1080/10286020.2015.1117453 |
Properties
HBA | 17 | HBD | 10 |
HeavyAtoms | 64 | AlogP | 1.35 |
TPSA | 274.75 | RotatableBonds | 9 |
FractionCSP3 | 0.94 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |