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