TPCN05563
Name | 3??-O-[??-D-ribopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1??2)-??-Larabinopyranosyl] hederagenin-11,13-dien-28-oic acid |
Molecular Formula | C46H72O16 |
Molecular Weight | 881.07 |
CAS Registry Number | 1422173-14-5 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4C=CC4=C6CC(C)(C)CCC6(C(=O)O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Ranunculaceae | Clematis argentilucida | Roots | 0.000144% | Fitoterapia. 2012. 83, 759-764. | 10.1016/j.fitote.2012.03.003 |
Properties
HBA | 16 | HBD | 9 |
HeavyAtoms | 62 | AlogP | 1.90 |
TPSA | 254.52 | RotatableBonds | 8 |
FractionCSP3 | 0.89 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |