TPCN05455
Name | 3-O-??-D-Xylopyranosyl-(1?2)-??-D-glucopyranosyl-12??,30-dihydroxy-olean-28,13??-olide |
Molecular Formula | C41H66O14 |
Molecular Weight | 782.97 |
CAS Registry Number | 1350742-49-2 |
SMILES | CC1(CO)CCC23CCC4(C)C5(C)CCC6C(C)(C)C(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)CCC6(C)C5CC(O)C4(OC2=O)C3C1 |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caprifoliaceae | Patrinia scabiosaefolia | Whole plants | 0.000664% | Carbohydr Res. 2011. 346, 2881-2885. | 10.1016/j.carres.2011.10.008 |
Properties
HBA | 14 | HBD | 8 |
HeavyAtoms | 55 | AlogP | 1.14 |
TPSA | 225.06 | RotatableBonds | 6 |
FractionCSP3 | 0.98 | Rings | 8 |
AromaticRings | 0 | AliphaticRings | 8 |