TPCN01751

Name 4
Molecular Formula C21H30O9
Molecular Weight 426.46
CAS Registry Number 1438883-41-0
SMILES CC1=C2CCC3(C)C(OC4OC(CO)C(O)C(O)C4O)C=CC(C)(O)C3C2OC1=O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula varia Roots 0.000143% Chem Pharm Bull (Tokyo) 60(7): 913-919.(2012) 10.1248/cpb.c12-00350
Properties
HBA 9 HBD 5
HeavyAtoms 30 AlogP -0.85
TPSA 145.91 RotatableBonds 3
FractionCSP3 0.76 Rings 4
AromaticRings 0 AliphaticRings 4