TPCN01291

Name 11??,13-dihydrodehydrocostuslactone8??-O-??-D-glucopyranoside
Molecular Formula C21H30O8
Molecular Weight 410.46
CAS Registry Number 98571-07-4
SMILES C=C1CC(OC2OC(CO)C(O)C(O)C2O)C2C(C)C(=O)OC2C2C(=C)CCC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Saussurea involucrata Aerial parts 0.000898% Nat Prod Res 34(7): 943-949.(2020) 10.1080/14786419.2018.1543683
Properties
HBA 8 HBD 4
HeavyAtoms 29 AlogP -0.11
TPSA 125.68 RotatableBonds 3
FractionCSP3 0.76 Rings 4
AromaticRings 0 AliphaticRings 4