TPCN05392
Name | 3-O-??-D-galactopyranosyl-(1 ?? 2)-[??-D-xylopyranosyl-(1 ?? 3)]-??-D-glucuronopyranosylquillaic acid 28-O-??-D-xylopyranosyl-(1 ?? 4)-[??-D-glucopyranosyl-(1 ?? 3)]-??-L-rhamnopyranosyl-(1 ?? 2)-[??-D-glucopyranosyl-(1 ?? 4)]-??-D-fucopyranosyl ester |
Molecular Formula | C76H120O42 |
Molecular Weight | 1705.75 |
CAS Registry Number | 1605299-39-5 |
SMILES | CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Crassulaceae | Acanthophyllum glandulosum | Roots | 0.001720% | Planta Med. 2016. 82, 1553-1557. | 10.1055/s-0042-110575 |
Properties
HBA | 42 | HBD | 23 |
HeavyAtoms | 118 | AlogP | -9.16 |
TPSA | 664.18 | RotatableBonds | 21 |
FractionCSP3 | 0.93 | Rings | 13 |
AromaticRings | 0 | AliphaticRings | 13 |