TPCN06041
Name | 3-O-??-L-rhamnopyranosyl-(1??2)-??-D-glucuronopyranosyl-22-O-??,??-dimethylacryloyl-A1-barrigenol |
Molecular Formula | C47H74O16 |
Molecular Weight | 895.09 |
CAS Registry Number | 907594-38-1 |
SMILES | CC(C)=CC(=O)OC1CC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)C(O)C(O)C12CO |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Apiaceae | Eryngium campestre | Roots | 0.002000% | J Nat Prod . 2006 Jul;69(7):1105-8 | 10.1021/np060101w |
Properties
HBA | 16 | HBD | 9 |
HeavyAtoms | 63 | AlogP | 2.34 |
TPSA | 262.36 | RotatableBonds | 8 |
FractionCSP3 | 0.87 | Rings | 7 |
AromaticRings | 0 | AliphaticRings | 7 |