TPCN01273

Name 3
Molecular Formula C21H32O9
Molecular Weight 428.48
CAS Registry Number 1438883-39-6
SMILES CC1=CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)CCC3(O)C(C)C(=O)OC3C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula varia Roots 0.001000% Chem Pharm Bull (Tokyo) 60(7): 913-919.(2012) 10.1248/cpb.c12-00350
Properties
HBA 9 HBD 5
HeavyAtoms 30 AlogP -0.77
TPSA 145.91 RotatableBonds 3
FractionCSP3 0.86 Rings 4
AromaticRings 0 AliphaticRings 4