TPCN01138

Name 2
Molecular Formula C21H32O10
Molecular Weight 444.48
CAS Registry Number 1438883-35-2
SMILES CC1=CCC(OC2OC(CO)C(O)C(O)C2O)C2(C)CCC3(O)C(OC(=O)C3(C)O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula varia Roots 0.001857% Chem Pharm Bull (Tokyo) 60(7): 913-919.(2012) 10.1248/cpb.c12-00350
Properties
HBA 10 HBD 6
HeavyAtoms 31 AlogP -1.65
TPSA 166.14 RotatableBonds 3
FractionCSP3 0.86 Rings 4
AromaticRings 0 AliphaticRings 4