TPCN05389
Name | Glandulosides C;(3-O-??-D-galactopyranosyl-(1 ??2)-[???D-xylopyranosyl-(1 ?? 3)]-??-D-glucuronopyranosyl-gypsogenin-28-O-??-D-xylopyranosyl-(1 ?? 3)-??-D-xylopyranosyl-(1 ?? 4)-??-L-rhamnopyranosyl-(1 ?? 2)-3,4-di-O-acetyl-??-D-fucopyranoside) |
Molecular Formula | C73H112O37 |
Molecular Weight | 1581.66 |
CAS Registry Number | 745031-68-9 |
SMILES | CC(=O)OC1C(C)OC(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)CC3)C(OC2OC(C)C(OC3OCC(O)C(OC4OCC(O)C(O)C4O)C3O)C(O)C2O)C1OC(C)=O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Abelmoschus sagittifolius | Roots | 0.001800% | J Nat Prod. 2004. 67, 1114-1118. | 10.1021/np040001v. |
Crassulaceae | Acanthophyllum glandulosum | Roots | 0.001800% | Planta Med. 2016. 82, 1553-1557. | 10.1055/s-0042-110575 |
Properties
HBA | 37 | HBD | 16 |
HeavyAtoms | 110 | AlogP | -4.18 |
TPSA | 556.71 | RotatableBonds | 19 |
FractionCSP3 | 0.90 | Rings | 12 |
AromaticRings | 0 | AliphaticRings | 12 |