TPCN05433
Name | 3-O-??-D-xylopyranosyl-(1 ! 3)-a-Lrhamnopyranosyl-(1 ! 2)-??-D-xylopyranosyl oleanolic acid 28-O-??-D-glucopyranoside |
Molecular Formula | C52H84O20 |
Molecular Weight | 1029.22 |
CAS Registry Number | 1353558-36-7 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OCC(O)C2O)C(O)C(OC2OCC(O)C(O)C2O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caprifoliaceae | Patrinia scabiosifolia | Whole plants | 0.000856% | J Asian Nat Prod Res. 2012. 14, 333-341. | 10.1080/10286020.2011.653685. |
Properties
HBA | 20 | HBD | 11 |
HeavyAtoms | 72 | AlogP | 0.27 |
TPSA | 313.44 | RotatableBonds | 9 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |