TPCN05848
Name | ??-D-Glucopyranosiduronic acid, (3??,4??)-28-[(O-??-L-arabinofuranosyl-(1??3)-O-[O-??-D-xylopyranosyl-(1??4)-6-deoxy-??-L-mannopyranosyl-(1??2)]-4-O-acetyl-6-deoxy-??-D-galactopyranosyl)oxy]-23,28-dioxoolean-12-en-3-yl 2-O-??-D-galactopyranosyl-, butyl ester (9CI, ACI) |
Molecular Formula | C70H110O32 |
Molecular Weight | 1463.62 |
CAS Registry Number | 318959-53-4 |
SMILES | CCCCOC(=O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(C)C(OC(C)=O)C(OC6OC(CO)C(O)C6O)C5OC5OC(C)C(OC6OCC(O)C(O)C6O)C(O)C5O)CCC34C)C2(C)C=O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Caryophyllaceae | Vaccaria segetalis | Seeds | 0.000080% | J Asian Nat Prod Res. 2000;2(3):187-93. | 10.1080/10286020008039910. |
Properties
HBA | 32 | HBD | 14 |
HeavyAtoms | 102 | AlogP | -1.95 |
TPSA | 480.72 | RotatableBonds | 20 |
FractionCSP3 | 0.91 | Rings | 11 |
AromaticRings | 0 | AliphaticRings | 11 |