TPCN01381

Name Cichoriosides B
Molecular Formula C21H28O10
Molecular Weight 440.45
CAS Registry Number 117037-78-2
SMILES CC1=C2C(=O)C=C(COC3OC(CO)C(O)C(O)C3O)C2C2OC(=O)C(C)C2C(O)C1
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Cichorium intybus Roots 0.000600% Chem Pharm Bull (Tokyo) 36(7): 2423-2429.(1988) 10.1248/cpb.36.2423
Properties
HBA 10 HBD 5
HeavyAtoms 31 AlogP -1.81
TPSA 162.98 RotatableBonds 4
FractionCSP3 0.71 Rings 4
AromaticRings 0 AliphaticRings 4