TPCN05256
Name | 3-O-[a-L-rhamnopyranosyl(1 ! 2)-a-Larabinopyranosyl]-28-O-[-D-allopyranosyl(1! 6)--D-glucopyranosyl]-hederagenin. |
Molecular Formula | C53H86O22 |
Molecular Weight | 1075.25 |
CAS Registry Number | 1256561-67-7 |
SMILES | CC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(=O)OC6OC(CO)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)CO)OCC(O)C2O)C(O)C(O)C1O |
Classify | Triterpenoids |
Content
Family | Species | Part | Content (%) | Reference | DOI |
---|---|---|---|---|---|
Asteraceae | Cephalaria ambrosioides | Aerial parts | 0.040000% | Nat Prod Res. 2010. 24, 1307-1312. | 10.1080/14786410903230383 |
Properties
HBA | 22 | HBD | 13 |
HeavyAtoms | 75 | AlogP | -1.40 |
TPSA | 353.90 | RotatableBonds | 11 |
FractionCSP3 | 0.94 | Rings | 9 |
AromaticRings | 0 | AliphaticRings | 9 |