TPCN01212

Name 6
Molecular Formula C26H38O13
Molecular Weight 558.58
CAS Registry Number 1438883-45-4
SMILES C=C1C=CC(OC2OC(COC3OCC(O)(CO)C3O)C(O)C(O)C2O)C2(C)CCC3C(OC(=O)C3(C)O)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula varia Roots 0.001286% Chem Pharm Bull (Tokyo) 60(7): 913-919.(2012) 10.1248/cpb.c12-00350
Properties
HBA 13 HBD 7
HeavyAtoms 39 AlogP -2.53
TPSA 204.83 RotatableBonds 6
FractionCSP3 0.81 Rings 5
AromaticRings 0 AliphaticRings 5