TPCN05892
Name | 3-O-[??-D-Galactopyranosyl-(1??2)-[??-L-arabinopyranosyl-(1??3)]-??-D-glucuronopyranosyl]gypsogenin 28-??-D-xylopyranosyl-(1??3)-??-D-xylopyranosyl-(1??3)-??-L-rhamnopyranosyl-(1??2)-[6-deoxy-??-D-glucopyranosyl-(1??4)]-??-D-fucopyranosyl ester |
Molecular Formula | C75H118O39 |
Molecular Weight | 1643.73 |
CAS Registry Number | 1422049-85-1 |
SMILES | CC1OC(OC2C(C)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(OC8OCC(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(C=O)C6CCC5(C)C3(C)CC4)C(OC3OC(C)C(O)C(OC4OCC(O)C(OC5OCC(O)C(O)C5O)C4O)C3O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Acanthophyllum gypsophiloides | Roots | 3.146939% | Beilstein J Org Chem . 2012;8:763-75 | 10.3762/bjoc.8.87 |
Properties
HBA | 39 | HBD | 20 |
HeavyAtoms | 114 | AlogP | -6.47 |
TPSA | 603.49 | RotatableBonds | 19 |
FractionCSP3 | 0.93 | Rings | 13 |
AromaticRings | 0 | AliphaticRings | 13 |