TPCN00999

Name 11??,13-dihydrodehydrocostuslactone-8-O-??-D-glucoside
Molecular Formula C23H32O9
Molecular Weight 452.50
CAS Registry Number 940948-62-9
SMILES C=C1CC(OC2OC(COC(C)=O)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Malvaceae Saussurea involucrata Aerial parts 0.004444% Fitoterapia 82(7): 983-987.(2011) 10.1016/j.fitote.2011.05.015
Properties
HBA 9 HBD 3
HeavyAtoms 32 AlogP 0.46
TPSA 131.75 RotatableBonds 4
FractionCSP3 0.74 Rings 4
AromaticRings 0 AliphaticRings 4